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P2: IML/FFX
QC: IML/FFX
P1: IML/FFX
AT029-Manual
June 22, 2007
AT029-07
TABLE 7.3—Antione coefficients for calculation of vapor pressure from Eq. (7.11).
B
T + C
No. AT029-Manual-v7.cls T1: IML ln P vap = A − 17:40 Units: bar and K B C
Compound
T b ,K
A
n-Alkanes
1 Methane (C 1 ) 111.66 8.677752 911.2342 −6.340
2 Ethane (C 2 ) 184.55 9.104537 1528.272 −16.469
3 Propane (C 3 ) 231.02 9.045199 1851.272 −26.110
4 Butane (n-C 4 ) 272.66 9.055284 2154.697 −34.361
5 Isobutane (i-C 4 ) 261.34 9.216603 2181.791 −24.280
6 Pentane (n-C 5 ) 309.22 9.159361 2451.885 −41.136
7 Hexane (n-C 6 ) 341.88 9.213541 2696.039 −48.833
8 Heptane (n-C 7 ) 371.57 9.256922 2910.258 −56.718
9 Octane (n-C 8 ) 398.82 9.327197 3123.134 −63.515
10 Nonane (n-C 9 ) 423.97 9.379719 3311.186 −70.456
11 Decane (n-C 10 ) 447.3 9.368137 3442.756 −79.292
12 Undecane (n-C 11 ) 469.08 9.433921 3614.068 −85.450
13 Dodecane (n-C 12 ) 489.48 9.493213 3774.559 −91.310
14 Tridecane (n-C 13 ) 508.63 9.515341 3892.912 −98.930
15 Tetradecane (n-C 14 ) 526.76 9.527867 4008.524 −105.430
16 Pentadecane (n-C 15 ) 543.83 9.552251 4121.512 −111.770
17 Hexadecane (n-C 16 ) 559.98 9.563948 4214.905 −118.700
18 Heptadecane (n-C 17 ) 574.56 9.53086 4294.551 −123.950
19 Octadecane (n-C 18 ) 588.3 9.502999 4361.787 −129.850
20 Nonadecane (n-C 19 ) 602.34 9.533163 4450.436 −135.550
21 Eicosane (n-C 20 ) 616.84 9.848387 4680.465 −141.050
1-Alkenes
22 Ethylene (C 2 H 4 ) 169.42 9.011904 1373.561 −16.780
23 Propylene (C 3 H 6 ) 225.46 9.109165 1818.176 −25.570
24 1-butane (C 4 H 8 ) 266.92 9.021068 2092.589 −34.610
Naphthenes
25 Cyclopentane 322.38 9.366525 2653.900 −38.640
26 Methylcyclopentane 344.98 9.629388 2983.098 −34.760
27 Ethylcyclopentane 376.59 9.219735 2978.882 −53.030
28 Cyclohexane 353.93 9.049205 2723.438 −52.532
29 Methylcyclohexane 374.09 9.169631 2972.564 −49.449
Aromatics --`,```,`,``````,`,````,```,,-`-`,,`,,`,`,,`---
30 Benzene (C 6 H 6 ) 353.24 9.176331 2726.813 −55.578
31 Toluene (C 7 H 8 ) 383.79 9.32646 3056.958 −55.525
32 Ethylbenzene 409.36 9.368321 3259.931 −60.850
33 Propylbenzene 432.35 9.38681 3434.996 −65.900
34 Butylbenzene 456.42 9.448543 3627.654 −71.950
35 o-Xylene (C 8 H 10 ) 417.59 9.43574 3358.795 −61.109
36 m-Xylene (C 8 H 10 ) 412.34 9.533877 3381.814 −57.030
37 p-Xylene (C 8 H 10 ) 411.53 9.451974 3331.454 −58.523
Other hydrocarbons
38 Isooctane 372.39 9.064034 2896.307 −52.383
39 Acetylene (C 2 H 2 ) 188.40 8.459099 1217.308 −44.360
40 Naphthalene 491.16 9.522456 3992.015 −71.291
Organics
41 Acetone (C 3 H 6 O) 329.22 9.713225 2756.217 −45.090
42 Pyridine (C 5 H 5 N) 388.37 9.59600 3161.509 −58.460
43 Aniline (C 6 H 7 N) 457.17 10.15141 3897.747 −72.710
44 Methanol 337.69 11.97982 3638.269 −33.650
45 Ethanol 351.80 12.28832 3795.167 −42.232
46 Propanol 370.93 11.51272 3483.673 −67.343
Nonhydrocarbons
47 Hydrogen (H 2 ) 20.38 6.768541 153.8021 2.500
48 Oxygen (O 2 ) 90.17 8.787448 734.5546 −6.450
49 Nitrogen (N 2 ) 77.35 8.334138 588.7250 −6.600
50 Helium (He) 4.30 3.876632 18.77712 0.560
51 CO 81.66 8.793849 671.7631 −5.154
52 CO 2 194.65 10.77163 1956.250 −2.1117
53 Ammonia (NH 3 ) 239.82 10.32802 2132.498 −32.980
54 H 2 S 212.84 9.737218 1858.032 −21.760
55 Sulfur (S) 717.75 9.137878 5756.739 −86.850
56 CCl 4 349.79 9.450845 2914.225 −41.002
57 Water (H 2 O) 373.15 11.77920 3885.698 −42.980
The above coefficients may be used for pressure range of 0.02–2.0 bar except for water for which the pressure range is 0.01–16
bar as reported in Ref. [12]. These coefficents can generate vapor pressure near atmospheric pressure with error of less than
0.1%. There are other reported coefficients that give slightly more accurate results near the boiling point. For example, some
other reported values for A, B,and C are given here. For water: 11.6568, 3799.89, and –46.8000; for acetone: 9.7864, 2795.82,
and –43.15 or 10.11193, 2975.95, and –34.5228; for ethanol: 12.0706, 3674.49, and –46.70.
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