Copy (3) of Gani
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ariaerenjaegerCopy (3) of Gani
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ariaerenjaegerCalculation
No material N group k Natom Nk tbk ( K ) tck ( K ) pck ( bar ) Tb ( K ) Tc ( K )
1 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.20 526.23
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6867 18.2704 0.0928
2 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.34 529.26
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6904 18.5787 0.0904
3 C8H18 12 CH3 4 3 2.668 5.034 0.060 396.54 568.20
12 CH2 3 4 3.690 13.968 0.042
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.9615 23.0353 0.1034
4 C8H18 12 CH3 4 3 2.668 5.034 0.060 396.54 568.20
12 CH2 3 4 3.690 13.968 0.042
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.9615 23.0353 0.1034
5 C8H18 12 CH3 4 3 2.668 5.034 0.060 396.54 568.20
12 CH2 3 4 3.690 13.968 0.042
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.9615 23.0353 0.1034
6 C8H18 16 CH3 4 4 3.558 6.712 0.080 385.92 557.91
6 CH2 3 2 1.845 6.984 0.021
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6092 21.7624 0.1034
7 C8H18 16 CH3 4 4 3.558 6.712 0.080 385.92 557.91
6 CH2 3 2 1.845 6.984 0.021
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6092 21.7624 0.1034
8 C8H18 16 CH3 4 4 3.558 6.712 0.080 385.92 557.91
6 CH2 3 2 1.845 6.984 0.021
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6092 21.7624 0.1034
9 C8H18 16 CH3 4 4 3.558 6.712 0.080 386.04 560.46
9 CH2 3 3 2.768 10.476 0.032
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6129 22.0707 0.1010
10 C8H18 16 CH3 4 4 3.558 6.712 0.080 385.92 557.91
6 CH2 3 2 1.845 6.984 0.021
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6092 21.7624 0.1034
11 C8H18 16 CH3 4 4 3.558 6.712 0.080 385.92 557.91
6 CH2 3 2 1.845 6.984 0.021
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.6092 21.7624 0.1034
12 C8H18 20 CH3 4 5 4.447 8.391 0.100 374.85 549.70
3 CH2 3 1 0.923 3.492 0.011
2 CH 2 1 0.603 4.033 0.001
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.2606 20.7978 0.1010
13 C8H18 20 CH3 4 5 4.447 8.391 0.100 374.85 549.70
3 CH2 3 1 0.923 3.492 0.011
2 CH 2 1 0.603 4.033 0.001
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.2606 20.7978 0.1010
14 C8H18 20 CH3 4 5 4.447 8.391 0.100 374.73 546.99
0 CH2 3 0.000 0.000 0.000
6 CH 2 3 1.810 12.099 0.004
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 6.2569 20.4895 0.1034
15 C8H18 24 CH3 4 6 5.336 10.069 0.119 363.14 541.09
0 CH2 3 0.000 0.000 0.000
0 CH 2 0.000 0.000 0.000
2 C 1 2 0.576 9.765 -0.021
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
26 5.9120 19.8332 0.0986
16 C5H12 8 CH3 4 2 1.779 3.356 0.040 309.46 475.82
9 CH2 3 3 2.768 10.476 0.032
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
17 4.5463 13.8322 0.0716
17 C5H12 12 CH3 4 3 2.668 5.034 0.060 292.98 458.34
3 CH2 3 1 0.923 3.492 0.011
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
17 4.1940 12.5593 0.0716
18 C9H20 16 CH3 4 4 3.558 6.712 0.080 412.73 587.06
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
29 7.5354 25.5627 0.1116
19 C9H20 8 CH3 4 2 1.779 3.356 0.040 430.90 602.26
21 CH2 3 7 6.458 24.444 0.074
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
29 8.2363 27.8002 0.1140
20 C7H16 20 CH3 4 5 4.447 8.391 0.100 342.27 516.40
0 CH2 3 0.000 0.000 0.000
2 CH 2 1 0.603 4.033 0.001
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.3381 17.3058 0.0904
21 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.34 529.26
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6904 18.5787 0.0904
22 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.20 526.23
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6867 18.2704 0.0928
23 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.20 526.23
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6867 18.2704 0.0928
24 C7H16 16 CH3 4 4 3.558 6.712 0.080 355.34 529.26
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 5.6904 18.5787 0.0904
25 C7H16 12 CH3 4 3 2.668 5.034 0.060 367.49 538.43
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 6.0390 19.5433 0.0928
26 C7H16 12 CH3 4 3 2.668 5.034 0.060 367.49 538.43
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 6.0390 19.5433 0.0928
27 C7H16 12 CH3 4 3 2.668 5.034 0.060 367.49 538.43
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 6.0390 19.5433 0.0928
28 C7H16 8 CH3 4 2 1.779 3.356 0.040 379.07 549.86
15 CH2 3 5 4.613 17.460 0.053
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
23 6.3913 20.8162 0.0928
29 C6H14 16 CH3 4 4 3.558 6.712 0.080 319.03 487.81
0 CH2 3 0.000 0.000 0.000
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
20 4.7642 14.7784 0.0822
30 C6H14 16 CH3 4 4 3.558 6.712 0.080 319.19 491.55
3 CH2 3 1 0.923 3.492 0.011
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
0 CH2 =CH 5 0.000 0.000 0.000
0 CH =CH 4 0.000 0.000 0.000
0 CH=C 3 0.000 0.000 0.000
0 CH2=C 4 0.000 0.000 0.000
0 C=C 2 0.000 0.000 0.000
0 CHºC 3 0.000 0.000 0.000
0 CºC 2 0.000 0.000 0.000
0 CH2=C=CH 6 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
20 4.7679 15.0867 0.0798
31 C2H4O2 4 CH3 4 1 0.889 1.678 0.020 389.42 586.17
0 CH2 3 0.000 0.000 0.000
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
8 6.7231 25.4374 0.0314
32 C3H6O2 4 CH3 4 1 0.889 1.678 0.020 415.69 609.47
3 CH2 3 1 0.923 3.492 0.011
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
11 7.6456 28.9294 0.0420
33 C4H8O2 4 CH3 4 1 0.889 1.678 0.020 438.97 630.11
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
14 8.5681 32.4214 0.0526
34 C5H10O2 4 CH3 4 1 0.889 1.678 0.020 459.87 648.64
9 CH2 3 3 2.768 10.476 0.032
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
17 9.4906 35.9134 0.0632
35 C6H12O2 4 CH3 4 1 0.889 1.678 0.020 478.83 665.45
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.4131 39.4054 0.0738
36 C6H12O2 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
37 C6H12O2 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
38 C6H12O2 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
39 C6H12O2 4 CH3 4 1 0.889 1.678 0.020 478.83 665.45
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.4131 39.4054 0.0738
40 C7H14O2 4 CH3 4 1 0.889 1.678 0.020 496.17 680.83
15 CH2 3 5 4.613 17.460 0.053
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
23 11.3356 42.8974 0.0844
41 C8H16O2 4 CH3 4 1 0.889 1.678 0.020 512.16 695.00
18 CH2 3 6 5.535 20.952 0.064
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
26 12.2581 46.3894 0.0950
42 C9H20O 4 CH3 4 1 0.889 1.678 0.020 498.84 665.16
24 CH2 3 8 7.380 27.936 0.085
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
30 11.4846 39.3433 0.1098
43 C9H20O 8 CH3 4 2 1.779 3.356 0.040 492.47 659.20
18 CH2 3 6 5.535 20.952 0.064
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
30 11.1323 38.0704 0.1098
44 C8H18O 4 CH3 4 1 0.889 1.678 0.020 481.73 648.33
21 CH2 3 7 6.458 24.444 0.074
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
27 10.5621 35.8513 0.0992
45 C8H18O 8 CH3 4 2 1.779 3.356 0.040 474.80 641.78
15 CH2 3 5 4.613 17.460 0.053
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
27 10.2098 34.5784 0.0992
46 C5H12O 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
47 C7H16O 4 CH3 4 1 0.889 1.678 0.020 463.05 629.76
18 CH2 3 6 5.535 20.952 0.064
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
24 9.6396 32.3593 0.0886
48 C7H16O 8 CH3 4 2 1.779 3.356 0.040 455.44 622.50
12 CH2 3 4 3.690 13.968 0.042
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
24 9.2873 31.0864 0.0886
49 C6H14O 4 CH3 4 1 0.889 1.678 0.020 442.50 609.08
15 CH2 3 5 4.613 17.460 0.053
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.7171 28.8673 0.0780
50 C6H14O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
51 C6H14O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
52 C6H14O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
53 C6H14O 12 CH3 4 3 2.668 5.034 0.060 425.37 594.47
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0162 26.6298 0.0756
54 C6H14O 12 CH3 4 3 2.668 5.034 0.060 425.27 592.36
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0125 26.3215 0.0780
55 C6H14O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
56 C6H14O 12 CH3 4 3 2.668 5.034 0.060 425.27 592.36
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0125 26.3215 0.0780
57 C5H12O 4 CH3 4 1 0.889 1.678 0.020 419.64 585.73
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.7946 25.3753 0.0674
58 C5H12O 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
59 C5H12O 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
60 C5H12O 12 CH3 4 3 2.668 5.034 0.060 400.38 569.01
3 CH2 3 1 0.923 3.492 0.011
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.0937 23.1378 0.0650
61 C6H6 0 CH 3 4 0 0.000 0.000 0.000 360.42 573.81
0 CH2 3 0.000 0.000 0.000
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
4 5.8337 23.7593 0.0115
62 C6H6O 4 CH3 4 1 0.889 1.678 0.020 415.69 609.47
3 CH2 3 1 0.923 3.492 0.011
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
11 7.6456 28.9294 0.0420
63 C8H10 4 CH3 4 1 0.889 1.678 0.020 438.97 630.11
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
14 8.5681 32.4214 0.0526
64 C8H10 4 CH3 4 1 0.889 1.678 0.020 459.87 648.64
9 CH2 3 3 2.768 10.476 0.032
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
17 9.4906 35.9134 0.0632
65 C8H10 4 CH3 4 1 0.889 1.678 0.020 478.83 665.45
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.4131 39.4054 0.0738
66 C8H10 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
67 C9H12 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
68 C9H12 8 CH3 4 2 1.779 3.356 0.040 471.79 659.50
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.0608 38.1325 0.0738
69 C9H12 4 CH3 4 1 0.889 1.678 0.020 478.83 665.45
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
20 10.4131 39.4054 0.0738
70 C9H12 4 CH3 4 1 0.889 1.678 0.020 496.17 680.83
15 CH2 3 5 4.613 17.460 0.053
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
23 11.3356 42.8974 0.0844
71 C10H14 4 CH3 4 1 0.889 1.678 0.020 512.16 695.00
18 CH2 3 6 5.535 20.952 0.064
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
0 OH 2 0.000 0.000 0.000
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
4 COOH 4 1 5.834 23.759 0.012
26 12.2581 46.3894 0.0950
72 C10H14 4 CH3 4 1 0.889 1.678 0.020 498.84 665.16
24 CH2 3 8 7.380 27.936 0.085
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
30 11.4846 39.3433 0.1098
73 C12H18 8 CH3 4 2 1.779 3.356 0.040 492.47 659.20
18 CH2 3 6 5.535 20.952 0.064
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
30 11.1323 38.0704 0.1098
74 C8H10O 4 CH3 4 1 0.889 1.678 0.020 481.73 648.33
21 CH2 3 7 6.458 24.444 0.074
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
27 10.5621 35.8513 0.0992
75 C8H18O 8 CH3 4 2 1.779 3.356 0.040 474.80 641.78
15 CH2 3 5 4.613 17.460 0.053
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
27 10.2098 34.5784 0.0992
76 C8H18O 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
77 C8H18O 4 CH3 4 1 0.889 1.678 0.020 463.05 629.76
18 CH2 3 6 5.535 20.952 0.064
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
24 9.6396 32.3593 0.0886
78 C8H18O 8 CH3 4 2 1.779 3.356 0.040 455.44 622.50
12 CH2 3 4 3.690 13.968 0.042
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
24 9.2873 31.0864 0.0886
79 C8H18O 4 CH3 4 1 0.889 1.678 0.020 442.50 609.08
15 CH2 3 5 4.613 17.460 0.053
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.7171 28.8673 0.0780
80 C8H18O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
81 C8H18O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
82 C8H18O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
83 C9H12 12 CH3 4 3 2.668 5.034 0.060 425.37 594.47
6 CH2 3 2 1.845 6.984 0.021
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0162 26.6298 0.0756
84 C10H14 12 CH3 4 3 2.668 5.034 0.060 425.27 592.36
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0125 26.3215 0.0780
85 C7H8O 8 CH3 4 2 1.779 3.356 0.040 434.07 600.91
9 CH2 3 3 2.768 10.476 0.032
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.3648 27.5944 0.0780
86 C7H8O 12 CH3 4 3 2.668 5.034 0.060 425.27 592.36
3 CH2 3 1 0.923 3.492 0.011
4 CH 2 2 1.207 8.066 0.003
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
21 8.0125 26.3215 0.0780
87 C7H8O 4 CH3 4 1 0.889 1.678 0.020 419.64 585.73
12 CH2 3 4 3.690 13.968 0.042
0 CH 2 0.000 0.000 0.000
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.7946 25.3753 0.0674
88 C10H8 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
89 C11H10 8 CH3 4 2 1.779 3.356 0.040 410.19 576.41
6 CH2 3 2 1.845 6.984 0.021
2 CH 2 1 0.603 4.033 0.001
0 C 1 0.000 0.000 0.000
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.4423 24.1024 0.0674
90 C12H12 12 CH3 4 3 2.668 5.034 0.060 400.38 569.01
3 CH2 3 1 0.923 3.492 0.011
0 CH 2 0.000 0.000 0.000
1 C 1 1 0.288 4.882 -0.010
2 OH 2 1 3.215 9.729 0.005
0 CH3CO 6 0.000 0.000 0.000
0 CH2CO 5 0.000 0.000 0.000
0 CHO 3 0.000 0.000 0.000
0 CH3COO 7 0.000 0.000 0.000
0 CH2COO 6 0.000 0.000 0.000
0 HCOO 4 0.000 0.000 0.000
0 CH3O 5 0.000 0.000 0.000
0 CH2O 4 0.000 0.000 0.000
0 CH-O 3 0.000 0.000 0.000
0 COOH 4 0.000 0.000 0.000
18 7.0937 23.1378 0.0650
Calculation
Pc ( bar )
28.21
28.89
25.49
25.49
25.49
25.49
25.49
25.49
26.07
25.49
25.49
26.07
26.07
25.49
26.67
35.24
35.24
23.66
23.16
28.89
28.89
28.21
28.21
28.89
28.21
28.21
28.21
28.21
31.42
32.23
59.09
50.81
44.19
38.82
34.39
34.39
34.39
34.39
34.39
30.71
27.61
24.04
24.04
26.52
26.52
36.96
29.42
29.42
32.85
32.85
32.85
32.85
33.72
32.85
32.85
32.85
36.96
36.96
36.96
38.00
81.49 Aromatis belum
50.81
44.19
38.82
34.39
34.39
34.39
34.39
34.39
30.71
27.61
24.04
24.04
26.52
26.52
36.96
29.42
29.42
32.85
32.85
32.85
32.85
33.72
32.85
32.85
32.85
36.96
36.96
36.96
38.00
Calculation
No material Nr group k Nk Dtck Dpck Tb ( K ) Tc ( K ) Pc ( bar )
1 C 7 H ### 0 C 7 0.060 5.109 355.20 517.27 26.65
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
2 C 7 H ### 0 C 7 0.060 5.109 355.34 517.46 26.66
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
3 C 8 H ### 0 C 8 0.068 5.839 396.54 567.34 25.39
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
4 C 8 H ### 0 C 8 0.068 5.839 396.54 567.34 25.39
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
5 C 8 H ### 0 C 8 0.068 5.839 396.54 567.34 25.39
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
6 C 8 H ### 0 C 8 0.068 5.839 385.92 552.16 24.71
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
7 C 8 H ### 0 C 8 0.068 5.839 385.92 552.16 24.71
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
8 C 8 H ### 0 C 8 0.068 5.839 385.92 552.16 24.71
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
9 C 8 H ### 0 C 8 0.068 5.839 386.04 552.32 24.72
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
10 C 8 H ### 0 C 8 0.068 5.839 385.92 552.16 24.71
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
11 C 8 H ### 0 C 8 0.068 5.839 385.92 552.16 24.71
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
12 C 8 H ### 0 C 8 0.068 5.839 374.85 536.31 24.01
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
13 C 8 H ### 0 C 8 0.068 5.839 374.85 536.31 24.01
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
14 C 8 H ### 0 C 8 0.068 5.839 374.73 536.14 24.00
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
15 C 8 H ### 0 C 8 0.068 5.839 363.14 519.56 23.26
H 18 0.050 2.279
O 0.000 0.000
0 26 0.1185 8.1174
16 C 5 H ### 0 C 5 0.043 3.649 309.46 469.48 33.80
H 12 0.034 1.519
O 0.000 0.000
0 17 0.0762 5.1684
17 C 5 H ### 0 C 5 0.043 3.649 292.98 444.47 32.00
H 12 0.034 1.519
O 0.000 0.000
0 17 0.0762 5.1684
18 C 9 H ### 0 C 9 0.077 6.568 412.73 580.98 22.88
H 20 0.056 2.532
O 0.000 0.000
0 29 0.1326 9.1005
19 C 9 H ### 0 C 9 0.077 6.568 430.90 606.57 23.89
H 20 0.056 2.532
O 0.000 0.000
0 29 0.1326 9.1005
20 C 7 H ### 0 C 7 0.060 5.109 342.27 498.44 25.68
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
21 C 7 H ### 0 C 7 0.060 5.109 355.34 517.46 26.66
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
22 C 7 H ### 0 C 7 0.060 5.109 355.20 517.27 26.65
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
23 C 7 H ### 0 C 7 0.060 5.109 355.20 517.27 26.65
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
24 C 7 H ### 0 C 7 0.060 5.109 355.34 517.46 26.66
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
25 C 7 H ### 0 C 7 0.060 5.109 367.49 535.16 27.57
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
26 C 7 H ### 0 C 7 0.060 5.109 367.49 535.16 27.57
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
27 C 7 H ### 0 C 7 0.060 5.109 367.49 535.16 27.57
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
28 C 7 H ### 0 C 7 0.060 5.109 379.07 552.03 28.44
H 16 0.045 2.026
O 0.000 0.000
0 23 0.1044 7.1344
29 C 6 H ### 0 C 6 0.051 4.379 319.03 473.70 28.55
H 14 0.039 1.772
O 0.000 0.000
0 20 0.0903 6.1514
30 C 6 H ### 0 C 6 0.051 4.379 319.19 473.93 28.56
H 14 0.039 1.772
O 0.000 0.000
0 20 0.0903 6.1514
31 C 2 H 4 O 2 0 C 2 0.017 1.460 389.42 597.91 75.82
H 4 0.011 0.506
O 2 0.041 0.867
0 8 0.0689 2.8333
32 C 3 H 6 O 2 0 C 3 0.026 2.189 415.69 623.90 60.32
H 6 0.017 0.760
O 2 0.041 0.867
0 11 0.0830 3.8163
33 C 2 H 6 0 C 2 0.017 1.460 438.97 723.73 113.08
H 6 0.017 0.760
O 0 0.000 0.000
0 8 0.0338 2.2193
34 C 2 H 6 0 C 2 0.017 1.460 459.87 758.18 118.46
H 6 0.017 0.760
O 0 0.000 0.000
0 8 0.0338 2.2193
35 C 3 H 6 0 C 3 0.026 2.189 478.83 773.98 94.73
H 6 0.017 0.760
O 0 0.000 0.000
0 9 0.0424 2.9491
36 C 3 H 6 O 2 0 C 3 0.026 2.189 471.79 708.10 68.46
H 6 0.017 0.760
O 2 0.041 0.867
0 11 0.0830 3.8163
37 C 3 H 8 O 2 0 C 3 0.026 2.189 471.79 702.22 63.88
H 8 0.022 1.013
O 2 0.041 0.867
0 13 0.0886 4.0695
38 C 3 H 8 0 C 3 0.026 2.189 471.79 753.54 85.66
H 8 0.022 1.013
O 0 0.000 0.000
0 11 0.0479 3.2023
39 C 3 H 8 0 C 3 0.026 2.189 478.83 764.77 86.94
H 8 0.022 1.013
O 0 0.000 0.000
0 11 0.0479 3.2023
40 C 3 H 8 0 C 3 0.026 2.189 496.17 792.48 90.09
H 8 0.022 1.013
O 0 0.000 0.000
0 11 0.0479 3.2023
41 C 4 H 8 0 C 4 0.034 2.919 512.16 804.23 75.59
H 8 0.022 1.013
O 0 0.000 0.000
0 12 0.0565 3.9321
42 C 4 H ### 0 C 4 0.034 2.919 498.84 775.22 68.65
H 10 0.028 1.266
O 0 0.000 0.000
0 14 0.0621 4.1853
43 C 4 H ### 0 C 4 0.034 2.919 492.47 765.33 67.78
H 10 0.028 1.266
O 0 0.000 0.000
0 14 0.0621 4.1853
44 C 4 H ### 0 C 4 0.034 2.919 481.73 748.63 66.30
H 10 0.028 1.266
O 0 0.000 0.000
0 14 0.0621 4.1853
45 C 4 H ### 0 C 4 0.034 2.919 474.80 737.85 65.34
H 10 0.028 1.266
O 0 0.000 0.000
0 14 0.0621 4.1853
46 C 4 H ###O 2 0 C 4 0.034 2.919 410.19 598.66 44.09
H 10 0.028 1.266
O 2 0.041 0.867
0 16 0.1027 5.0525
47 C 5 H ### 0 C 5 0.043 3.649 463.05 708.96 53.67
H 10 0.028 1.266
O 0 0.000 0.000
0 15 0.0706 4.9152
48 C 5 H ### 0 C 5 0.043 3.649 455.44 697.31 52.78
H 10 0.028 1.266
O 0 0.000 0.000
0 15 0.0706 4.9152
49 C 5 H ### 0 C 5 0.043 3.649 442.50 677.49 51.28
H 10 0.028 1.266
O 0 0.000 0.000
0 15 0.0706 4.9152
50 C 5 H ###O 2 0 C 5 0.043 3.649 434.07 626.58 40.25
H 10 0.028 1.266
O 2 0.041 0.867
0 17 0.1113 5.7824
51 C 6 H ###O 2 0 C 6 0.051 4.379 434.07 616.05 33.59
H 12 0.034 1.519
O 2 0.041 0.867
0 20 0.1254 6.7654
52 C 6 H ###O 2 0 C 6 0.051 4.379 434.07 616.05 33.59
H 12 0.034 1.519
O 2 0.041 0.867
0 20 0.1254 6.7654
53 C 6 H ###O 2 0 C 6 0.051 4.379 425.37 603.70 32.92
H 12 0.034 1.519
O 2 0.041 0.867
0 20 0.1254 6.7654
54 C 6 H ###O 2 0 C 6 0.051 4.379 425.27 603.57 32.91
H 12 0.034 1.519
O 2 0.041 0.867
0 20 0.1254 6.7654
55 C 6 H ###O 2 0 C 6 0.051 4.379 434.07 616.05 33.59
H 12 0.034 1.519
O 2 0.041 0.867
0 20 0.1254 6.7654
56 C 4 H 8 O 2 0 C 4 0.034 2.919 425.27 625.37 48.47
H 8 0.022 1.013
O 2 0.041 0.867
0 14 0.0972 4.7993
57 C 4 H 8 O 2 0 C 4 0.034 2.919 419.64 617.09 47.83
H 8 0.022 1.013
O 2 0.041 0.867
0 14 0.0972 4.7993
58 C 6 H ### 0 C 6 0.051 4.379 410.19 609.04 36.70
H 14 0.039 1.772
O 0 0.000 0.000
0 20 0.0903 6.1514
59 C 6 H ### 0 C 6 0.051 4.379 410.19 609.04 36.70
H 14 0.039 1.772
O 0 0.000 0.000
0 20 0.0903 6.1514
60 C 6 H ### 0 C 6 0.051 4.379 400.38 594.49 35.83
H 14 0.039 1.772
O 0 0.000 0.000
0 20 0.0903 6.1514
61 C 6 H 6 0 C 6 0.051 4.379 360.42 554.31 40.14
H 6 0.017 0.760
O 0 0.000 0.000
0 12 0.0680 5.1386
62 C 6 H 6 O 1 0 C 6 0.051 4.379 415.69 619.02 41.30
H 6 0.017 0.760
O 1 0.020 0.434
0 13 0.0883 5.5722
63 C 8 H ### 0 C 8 0.068 5.839 438.97 646.38 33.45
H 10 0.028 1.266
O 0 0.000 0.000
0 18 0.0962 7.1046
64 C 8 H ### 0 C 8 0.068 5.839 459.87 677.15 35.04
H 10 0.028 1.266
O 0 0.000 0.000
0 18 0.0962 7.1046
65 C 8 H ### 0 C 8 0.068 5.839 478.83 705.07 36.49
H 10 0.028 1.266
O 0 0.000 0.000
0 18 0.0962 7.1046
66 C 8 H ### 0 C 8 0.068 5.839 471.79 694.71 35.95
H 10 0.028 1.266
O 0 0.000 0.000
0 18 0.0962 7.1046
67 C 9 H ### 0 C 9 0.077 6.568 471.79 681.87 30.64
H 12 0.034 1.519
O 0 0.000 0.000
0 21 0.1103 8.0877
68 C 9 H ### 0 C 9 0.077 6.568 471.79 681.87 30.64
H 12 0.034 1.519
O 0 0.000 0.000
0 21 0.1103 8.0877
69 C 9 H ### 0 C 9 0.077 6.568 478.83 692.04 31.10
H 12 0.034 1.519
O 0 0.000 0.000
0 21 0.1103 8.0877
70 C 9 H ### 0 C 9 0.077 6.568 496.17 717.11 32.23
H 12 0.034 1.519
O 0 0.000 0.000
0 21 0.1103 8.0877
71 C### H ### 0 C 10 0.085 7.298 512.16 727.70 28.76
H 14 0.039 1.772
O 0 0.000 0.000
0 24 0.1244 9.0707
72 C### H ### 0 C 10 0.085 7.298 498.84 708.77 28.02
H 14 0.039 1.772
O 0 0.000 0.000
0 24 0.1244 9.0707
73 C### H ### 0 C 12 0.102 8.758 492.47 678.85 21.36
H 18 0.050 2.279
O 0 0.000 0.000
0 30 0.1527 11.0368
74 C 8 H ###O 1 0 C 8 0.068 5.839 481.73 690.90 33.54
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
75 C 8 H ###O 1 0 C 8 0.068 5.839 474.80 680.95 33.06
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
76 C 8 H ###O 1 0 C 8 0.068 5.839 410.19 588.29 28.56
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
77 C 5 H ###O 1 0 C 5 0.043 3.649 463.05 686.91 47.78
H 10 0.028 1.266
O 1 0.020 0.434
0 16 0.0909 5.3488
78 C 8 H ###O 1 0 C 8 0.068 5.839 455.44 653.20 31.71
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
79 C 8 H ###O 1 0 C 8 0.068 5.839 442.50 634.63 30.81
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
80 C 8 H ###O 1 0 C 8 0.068 5.839 434.07 622.54 30.22
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
81 C 8 H ###O 1 0 C 8 0.068 5.839 434.07 622.54 30.22
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
82 C 8 H ###O 1 0 C 8 0.068 5.839 434.07 622.54 30.22
H 10 0.028 1.266
O 1 0.020 0.434
0 19 0.1165 7.5382
83 C 9 H ### 0 C 9 0.077 6.568 425.37 614.77 27.63
H 12 0.034 1.519
O 0 0.000 0.000
0 21 0.1103 8.0877
84 C### H ### 0 C 10 0.085 7.298 425.27 604.24 23.88
H 14 0.039 1.772
O 0 0.000 0.000
0 24 0.1244 9.0707
85 C 7 H 8 O 1 0 C 7 0.060 5.109 434.07 633.79 35.73
H 8 0.022 1.013
O 1 0.020 0.434
0 16 0.1024 6.5552
86 C 7 H 8 O 1 0 C 7 0.060 5.109 425.27 620.95 35.01
H 8 0.022 1.013
O 1 0.020 0.434
0 16 0.1024 6.5552
87 C 7 H 8 O 1 0 C 7 0.060 5.109 419.64 612.72 34.54
H 8 0.022 1.013
O 1 0.020 0.434
0 16 0.1024 6.5552
88 C### H 8 0 C 10 0.085 7.298 410.19 594.83 25.94
H 8 0.022 1.013
O 0 0.000 0.000
0 18 0.1077 8.3111
89 C### H ### 0 C 11 0.094 8.028 410.19 584.61 22.48
H 10 0.028 1.266
O 0 0.000 0.000
0 21 0.1218 9.2941
90 C### H ### 0 C 12 0.102 8.758 400.38 561.60 19.22
H 12 0.034 1.519
O 0 0.000 0.000
0 24 0.1359 10.2772
Table C1. Condtantinou and Gani ( CG ) Group Contributions Table C1. Condtantinou and Gani ( CG ) Group
No Property tb1k (K) tc1k (K) pc1k(bar) No atom Dtck
1 CH3 0.8894 1.6781 0.0199 1 C 0.008532
2 CH2 0.9225 3.4920 0.0106 2 H 0.002793
3 CH 0.6033 4.0330 0.0013 3 O 0.020341
4 C 0.2878 4.8823 -0.0104
5 CH2 =CH 1.7827 5.0146 0.0250
6 CH =CH 1.8433 7.3691 0.0179
8 CH=C 1.7957 8.9582 0.0126
9 CH2=C 1.7117 6.5081 0.0223
10 C=C 1.8881 11.3764 0.0020
11 CHºC 2.3678 7.5433 0.0148
12 CºC 2.5645 11.4501 0.0041
13 CH2=C=CH 3.1243 9.9318 0.0313
14 OH 3.2152 9.7292 0.0051
15 CH3CO 3.5668 13.2898 0.0251
16 CH2CO 3.8967 14.6273 0.0178
17 CHO 2.8526 10.1968 0.0141
18 CH3COO 3.636 12.5965 0.029
19 CH2COO 3.3953 13.8116 0.0218
20 HCOO 3.1459 11.6037 0.0138
21 CH3O 2.2536 6.4737 0.0204
22 CH2O 1.6249 6.0723 0.0151
23 CH-O 1.157 5.0663 0.0099
24 COOH 5.8337 23.7593 0.0115
nou and Gani ( CG ) Group Contributions
Dpck
0.72983
0.1266
0.4336
Condtantinou and Gani ( CG ) methode
Calculation Experiment
No Senyawa Alkana Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C7H16 2,4-dimethylpentana 355.20 526.23 28.21 353.62 519.70 27.40
2 C7H16 3,3-dimethylpentana 355.34 529.26 28.89 359.19 536.3 29.5
3 C8H18 3-methylheptana 396.54 568.20 25.49 392.08 563.60 25.50
4 C8H18 4-methylheptane 396.54 568.20 25.49 390.86 561.7 25.4
5 C8H18 3-methylhexana 396.54 568.20 25.49 391.69 565.4 26.1
6 C8H18 2,3-dimethylhexana 385.92 557.91 25.49 388.76 563.4 26.3
7 C8H18 2,4-dimethylhexana 385.92 557.91 25.49 382.58 553.5 25.6
8 C8H18 2,5-dimethylhexana 385.92 557.91 25.49 382.26 550 24.9
9 C8H18 3,3-dimethylhexana 386.04 560.46 26.07 385.12 562 26.5
10 C8H18 3,4-dimethylhexana 385.92 557.91 25.49 390.88 568.8 26.9
11 C8H18 3-ethyl-2-methylpentana 385.92 557.91 25.49 388.81 567 27
12 C8H18 2,2,4-trimethylpentana 374.85 549.70 26.07 372.39 543.9 25.7
13 C8H18 2,3,3-trimethylpentana 374.85 549.70 26.07 387.92 573.5 28.2
14 C8H18 2,3,4-trimethylpentana 374.73 546.99 25.49 386.62 566.3 27.3
15 C8H18 2,2,3,3-tetramethylbutana 363.14 541.09 26.67 379.44 567.8 28.7
16 C5H12 pentana 309.46 475.82 35.24 309.22 469.7 33.7
17 C5H12 2-methylbutana 292.98 458.34 35.24 300.99 460.39 33.81
18 C9H20 2,2-dimethylheptana 412.73 587.06 23.66 405.97 577.8 23.5
19 C9H20 nonana 430.90 602.26 23.16 423.97 594.6 22.9
20 C7H16 2,2,3-trimethylbutana 342.27 516.40 28.89 354.01 531.1 29.5
21 C7H16 3,3-dimethylpentana 355.34 529.26 28.89 359.19 536.3 29.5
22 C7H16 2,4-dimethylpentana 355.20 526.23 28.21 353.62 519.7 27.4
23 C7H16 2,3-dimethylpentana 355.20 526.23 28.21 362.91 537.3 29.1
24 C7H16 2,2-dimethylpentana 355.34 529.26 28.89 352.32 520.4 27.7
25 C7H16 3-ethylpentana 367.49 538.43 28.21 366.63 540.5 28.9
26 C7H16 3-methylheksana 367.49 538.43 28.21 365 535.2 28.1
27 C7H16 2-methylheksana 367.49 538.43 28.21 363.18 530.1 27.3
28 C7H16 heptana 379.07 549.86 28.21 371.57 540.2 27.4
29 C6H14 2,3-dimethylbutana 319.03 487.81 31.42 331.12 499.9 31.3
30 C6H14 2,2-dimethylbutana 319.19 491.55 32.23 322.87 488.7 30.8
Condtantinou and Gani ( CG ) methode
Calculation Experiment
No Senyawa Polar Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C2H4O2 Asam asetat 389.42 586.17 59.09 391.04 594.45 57.90
2 C3H6O2 Asam propanoat 415.69 609.47 50.81 414.31 604 45.3
3 C4H8O2 Asam butanoat 438.97 630.11 44.19 436.87 624.00 40.30
4 C5H10O2 asam pentanoat 459.87 648.64 38.82 459.31 643 35.8
5 C6H12O2 Asam heksanoat 478.83 665.45 34.39 478.38 662 32
6 C6H12O2 Metil pentanoat 471.79 659.50 34.39 400.55 567 31.9
7 C6H12O2 Etil butanoat 471.79 659.50 34.39 394.69 566 30.6
8 C6H12O2 Propil propanoat 471.79 659.50 34.39 395.64 578 30.9
9 C6H12O2 Butil etanoat 478.83 665.45 34.39 399.12 579 30.9
10 C7H14O2 Asam heptanoat 496.17 680.83 30.71 495.35 679 29
11 C8H16O2 Asam oktanoat 512.16 695.00 27.61 512.01 695 26.4
12 C9H20O 1-nonanol 498.84 665.16 24.04 486.52 668.9 26.3
13 C9H20O 2-nonanol 492.47 659.20 24.04 466.7 649.6 25.3
14 C8H18O 1-oktanol 481.73 648.33 26.52 468.33 652.5 28.6
15 C8H18O 2-oktanol 474.80 641.78 26.52 453.03 637 28.1
16 C5H12O 3-methyl-1-butanol 410.19 576.41 36.96 403.69 579.4 39.1
17 C7H16O 1-heptanol 463.05 629.76 29.42 449.81 631.9 31.5
18 C7H16O 2-heptanol 455.44 622.50 29.42 434.2 608.3 30.21
19 C6H14O 1-heksanol 442.50 609.08 32.85 430.44 611.4 35.1
20 C6H14O 2-heksanol 434.07 600.91 32.85 413.02 586.2 33.8
21 C6H14O 3-heksanol 434.07 600.91 32.85 408.94 582.4 33.6
22 C6H14O 2-methyl-1-pentanol 434.07 600.91 32.85 420.76 604.4 34.5
23 C6H14O 2-methyl-2-pentanol 425.37 594.47 33.72 394.51 559.5 34.7
24 C6H14O 2-methyl-3-pentanol 425.27 592.36 32.85 401.2 576 34.6
25 C6H14O 4-methyl-1-pentanol 434.07 600.91 32.85 424.93 603.5 36.3
26 C6H14O 4-methyl-2-pentanol 425.27 592.36 32.85 404.86 574.5 33.1
27 C5H12O 1-pentanol 419.64 585.73 36.96 411.16 588.15 39.09
28 C5H12O 2-pentanol 410.19 576.41 36.96 392.3 560.3 36.75
29 C5H12O 2-methyl-1-butanol 410.19 576.41 36.96 403.79 575.4 39.4
30 C5H12O 2-methyl-2-butanol 400.38 569.01 38.00 375.15 545 37.9
Condtantinou and Gani ( CG ) methode
Calculation Experiment
No Senyawa Aromatis Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C6H6 benzene 360.42 573.81 81.49 353.24 562.05 48.95
2 C6H6O phenol 415.69 609.47 50.81 455.04 694.25 61.3
3 C8H10 ethylbenzene 438.97 630.11 44.19 409.36 617.15 36.09
4 C8H10 1,2 dimethylbenzene 459.87 648.64 38.82 417.59 630.3 37.32
5 C8H10 1,3 dimethylbenzene 478.83 665.45 34.39 412.34 617 35.41
6 C8H10 1,4 dimethylbenzene 471.79 659.50 34.39 411.53 616.2 35.11
7 C9H12 propylbenzene 471.79 659.50 34.39 432.35 638.35 32
8 C9H12 1-ethyl-4-methylbenzene 471.79 659.50 34.39 435.13 640.2 32.3
9 C9H12 1,2,3 trimethylbenzene 478.83 665.45 34.39 449.23 664.5 34.54
10 C9H12 1,2,4 trimethylbenzene 496.17 680.83 30.71 442.49 649.1 32.32
11 C10H14 1,4 diethylbenzene 512.16 695.00 27.61 456.9 657.9 28.03
12 C10H14 1,2,4,5 tetramethylbenzene 498.84 665.16 24.04 470 676 29
13 C12H18 1,3,5 triethylbenzene 492.47 659.20 24.04 488.93 679 24.35
14 C8H10O 2 ethyphenol 481.73 648.33 26.52 477.67 703 43
15 C8H18O 3 ethylphenol 474.80 641.78 26.52 491.58 718.8 41.5
16 C8H18O 4 ethylphenol 410.19 576.41 36.96 491.15 716.4 40.5
17 C8H18O 2,3 dimethylphenol 463.05 629.76 29.42 490.03 722.8 46.3
18 C8H18O 2,4 dimethylphenol 455.44 622.50 29.42 484.09 707.6 42.8
19 C8H18O 2,5 dimethylphenol 442.50 609.08 32.85 484.29 706.9 42.8
20 C8H18O 2,6 dimethylphenol 434.07 600.91 32.85 474.18 701 46.3
21 C8H18O 3,4 dimethylphenol 434.07 600.91 32.85 500.11 729.8 42.8
22 C8H18O 3,5 dimethylphenol 434.07 600.91 32.85 494.85 715.6 41.3
23 C9H12 1,3,5-dimethylbenzene 425.37 594.47 33.72 437.9 637.3 31.27
24 C10H14 2-methylpropilbenzene 425.27 592.36 32.85 445.9 650 30.5
25 C7H8O 2-methylphenol 434.07 600.91 32.85 464.17 697.6 50
26 C7H8O 3-methylphenol 425.27 592.36 32.85 475.38 705.7 45.6
27 C7H8O 4-methylphenol 419.64 585.73 36.96 475.12 704.5 51.5
28 C10H8 naphthalene 410.19 576.41 36.96 491.16 748.4 40.5
29 C11H10 1-metyhlnaphthalene 410.19 576.41 36.96 517.84 772 36
30 C12H12 1,6-dimethylnaphthalene 400.38 569.01 38.00 539.5 784 31
Wilson and Jasperson ( WJ ) methode
Calculation Experiment
No Senyawa Alkana Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C7H16 2,4-dimethylpentane 355.20 517.27 26.65 353.62 519.70 27.40
2 C7H16 3,3-dimethylpentane 355.34 517.46 26.66 359.19 536.3 29.5
3 C8H18 3-methylheptane 396.54 567.34 25.39 392.08 563.60 25.50
4 C8H18 4-methylheptane 396.54 567.34 25.39 390.86 561.7 25.4
5 C8H18 3-ethylheksane 396.54 567.34 25.39 391.69 565.4 26.1
6 C8H18 2,3-dimethylheksane 385.92 552.16 24.71 388.76 563.4 26.3
7 C8H18 2,4-dimethylheksane 385.92 552.16 24.71 382.58 553.5 25.6
8 C8H18 2,5-dimethylheksane 385.92 552.16 24.71 382.26 550 24.9
9 C8H18 3,3-dimethylheksane 386.04 552.32 24.72 385.12 562 26.5
10 C8H18 3,4-dimethylheksane 385.92 552.16 24.71 390.88 568.8 26.9
11 C8H18 3-ethyl-2-methylpentane 385.92 552.16 24.71 388.81 567 27
12 C8H18 2,2,4-trimethylpentane 374.85 536.31 24.01 372.39 543.9 25.7
13 C8H18 2,3,3-trimethylpentane 374.85 536.31 24.01 387.92 573.5 28.2
14 C8H18 2,3,4-trimethylpentane 374.73 536.14 24.00 386.62 566.3 27.3
15 C8H18 2,2,3,3-tetramethylpentane 363.14 519.56 23.26 379.44 567.8 28.7
16 C5H12 pentane 309.46 469.48 33.80 309.22 469.7 33.7
17 C5H12 2-methylbutane 292.98 444.47 32.00 300.99 460.39 33.81
18 C9H20 2,2-dimethylheptane 412.73 580.98 22.88 405.97 577.8 23.5
19 C9H20 nonane 430.90 606.57 23.89 423.97 594.6 22.9
20 C7H16 2,2,3-trimethylbutane 342.27 498.44 25.68 354.01 531.1 29.5
21 C7H16 3,3-dimethylpentane 355.34 517.46 26.66 359.19 536.3 29.5
22 C7H16 2,4-dimethylpentane 355.20 517.27 26.65 353.62 519.7 27.4
23 C7H16 2,3-dimethylpentane 355.20 517.27 26.65 362.91 537.3 29.1
24 C7H16 2,2-dimethylpentane 355.34 517.46 26.66 352.32 520.4 27.7
25 C7H16 3-ethylpentane 367.49 535.16 27.57 366.63 540.5 28.9
26 C7H16 3-methylheksane 367.49 535.16 27.57 365 535.2 28.1
27 C7H16 2-methylheksane 367.49 535.16 27.57 363.18 530.1 27.3
28 C7H16 heptane 379.07 552.03 28.44 371.57 540.2 27.4
29 C6H14 2,3-dimethylbutane 319.03 473.70 28.55 331.12 499.9 31.3
30 C6H14 2,2-dimethylpbutane 319.19 473.93 28.56 322.87 488.7 30.8
Wilson and Jasperson ( WJ ) methode
Calculation Experiment
No Senyawa Polar Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C2H4O2 Asam asetat 389.42 597.91 75.82 391.04 594.45 57.90
2 C3H6O2 Asam propanoat 415.69 623.90 60.32 414.31 604 45.3
3 C4H8O2 Asam butanoat 438.97 723.73 113.08 436.87 624.00 40.30
4 C5H10O2 asam pentanoat 459.87 758.18 118.46 459.31 643 35.8
5 C6H12O2 Asam heksanoat 478.83 773.98 94.73 478.38 662 32
6 C6H12O2 Metil pentanoat 471.79 708.10 68.46 400.55 567 31.9
7 C6H12O2 Etil butanoat 471.79 702.22 63.88 394.69 566 30.6
8 C6H12O2 Propil propanoat 471.79 753.54 85.66 395.64 578 30.9
9 C6H12O2 Butil etanoat 478.83 764.77 86.94 399.12 579 30.9
10 C7H14O2 Asam heptanoat 496.17 792.48 90.09 495.35 679 29
11 C8H16O2 Asam oktanoat 512.16 804.23 75.59 512.01 695 26.4
12 C9H20O 1-nonanol 498.84 775.22 68.65 486.52 668.9 26.3
13 C9H20O 2-nonanol 492.47 765.33 67.78 466.7 649.6 25.3
14 C8H18O 1-oktanol 481.73 748.63 66.30 468.33 652.5 28.6
15 C8H18O 2-oktanol 474.80 737.85 65.34 453.03 637 28.1
16 C5H12O 3-methyl-1-butanol 410.19 598.66 44.09 403.69 579.4 39.1
17 C7H16O 1-heptanol 463.05 708.96 53.67 449.81 631.9 31.5
18 C7H16O 2-heptanol 455.44 697.31 52.78 434.2 608.3 30.21
19 C6H14O 1-heksanol 442.50 677.49 51.28 430.44 611.4 35.1
20 C6H14O 2-heksanol 434.07 626.58 40.25 413.02 586.2 33.8
21 C6H14O 3-heksanol 434.07 616.05 33.59 408.94 582.4 33.6
22 C6H14O 2-methyl-1-pentanol 434.07 616.05 33.59 420.76 604.4 34.5
23 C6H14O 2-methyl-2-pentanol 425.37 603.70 32.92 394.51 559.5 34.7
24 C6H14O 2-methyl-3-pentanol 425.27 603.57 32.91 401.2 576 34.6
25 C6H14O 4-methyl-1-pentanol 434.07 616.05 33.59 424.93 603.5 36.3
26 C6H14O 4-methyl-2-pentanol 425.27 625.37 48.47 404.86 574.5 33.1
27 C5H12O 1-pentanol 419.64 617.09 47.83 411.16 588.15 39.09
28 C5H12O 2-pentanol 410.19 609.04 36.70 392.3 560.3 36.75
29 C5H12O 2-methyl-1-butanol 410.19 609.04 36.70 403.79 575.4 39.4
30 C5H12O 2-methyl-2-butanol 400.38 594.49 35.83 375.15 545 37.9
Wilson and Jasperson ( WJ ) methode
Calculation Experiment
No Senyawa Aromatis Tb ( K ) Tc ( K ) Pc ( bar ) Tb ( K ) Tc ( K ) Pc ( bar )
1 C6H6 benzene 360.42 554.31 40.14 353.24 562.05 48.95
2 C6H6O phenol 415.69 619.02 41.30 455.04 694.25 61.3
3 C8H10 ethylbenzene 438.97 646.38 33.45 409.36 617.15 36.09
4 C8H10 1,2 dimethylbenzene 459.87 677.15 35.04 417.59 630.3 37.32
5 C8H10 1,3 dimethylbenzene 478.83 705.07 36.49 412.34 617 35.41
6 C8H10 1,4 dimethylbenzene 471.79 694.71 35.95 411.53 616.2 35.11
7 C9H12 propylbenzene 471.79 681.87 30.64 432.35 638.35 32
8 C9H12 1-ethyl-4-methylbenzene 471.79 681.87 30.64 435.13 640.2 32.3
9 C9H12 1,2,3 trimethylbenzene 478.83 692.04 31.10 449.23 664.5 34.54
10 C9H12 1,2,4 trimethylbenzene 496.17 717.11 32.23 442.49 649.1 32.32
11 C10H14 1,4 diethylbenzene 512.16 727.70 28.76 456.9 657.9 28.03
12 C10H14 1,2,4,5 tetramethylbenzene 498.84 708.77 28.02 470 676 29
13 C12H18 1,3,5 triethylbenzene 492.47 678.85 21.36 488.93 679 24.35
14 C8H10O 2 ethyphenol 481.73 690.90 33.54 477.67 703 43
15 C8H18O 3 ethylphenol 474.80 680.95 33.06 491.58 718.8 41.5
16 C8H18O 4 ethylphenol 410.19 588.29 28.56 491.15 716.4 40.5
17 C8H18O 2,3 dimethylphenol 463.05 686.91 47.78 490.03 722.8 46.3
18 C8H18O 2,4 dimethylphenol 455.44 653.20 31.71 484.09 707.6 42.8
19 C8H18O 2,5 dimethylphenol 442.50 634.63 30.81 484.29 706.9 42.8
20 C8H18O 2,6 dimethylphenol 434.07 622.54 30.22 474.18 701 46.3
21 C8H18O 3,4 dimethylphenol 434.07 622.54 30.22 500.11 729.8 42.8
22 C8H18O 3,5 dimethylphenol 434.07 622.54 30.22 494.85 715.6 41.3
23 C9H12 1,3,5-dimethylbenzene 425.37 614.77 27.63 437.9 637.3 31.27
24 C10H14 2-methylpropilbenzene 425.27 604.24 23.88 445.9 650 30.5
25 C7H8O 2-methylphenol 434.07 633.79 35.73 464.17 697.6 50
26 C7H8O 3-methylphenol 425.27 620.95 35.01 475.38 705.7 45.6
27 C7H8O 4-methylphenol 419.64 612.72 34.54 475.12 704.5 51.5
28 C10H8 naphthalene 410.19 594.83 25.94 491.16 748.4 40.5
29 C11H10 1-metyhlnaphthalene 410.19 584.61 22.48 517.84 772 36
30 C12H12 1,6-dimethylnaphthalene 400.38 561.60 19.22 539.5 784 31
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