Criitical properties and Acentric factor by A.K.

Coker

Physical and thermodynamic property data for organic and inorganic

compounds are important in the chemical and petroleum refining industries
The engineering design of process equipment often requires knowledge of
such properties such as heat capacity, enthalpy, density, viscosity
thermal conductivity, etc. The acentric factor is used in thermodynamic
correlations involving fugacity, compressibility factor, fugacity, and virial
coefficients

The critical density  c was determined from dividing molecular weight

by critical volume:
MW
c 
Vc
where

c  critical density, g/cm3

MW = molecular weight, g/mol
Vc = critical volume, cm3/mol

Critical compressibility factor (Zc) can be determined from the gas law
at critical poiint:

Pc Vc
Zc 
R Tc
where

Pc = critical pressure, bar

Vc = critical volume, cm3/mol
Tc = critical temperature, K
R= gas constant, 83.145 bar cm3 mol-1 K-1
83.145
Calculations of the first ten organic compounds
Name Formula MW TF TB
g/mol K K
Bromochlorodifluoromethane CBrClF2 165.365 113.65 269.14
Bromotrichloromethane CBRrCl3 198.273 252.15 378.05
Dibromofluoromethane CBr2F3 148.91 105.15 215.26
Dibromodifluoromethane CBr2F2 209.816 163.05 295.94
Cholorotrifluoromethane CClF3 104.459 92.15 191.74
Cyanogen chloride CCIN 61.47 266.65 286
Dichlorodifluoromethane CCl2F2 120.913 115.15 243.36
Phosgene CCl2O 98.916 145.37 280.71
Trichlorofluoromethane CCl3F 137.368 162.04 296.97
Carbon Tetrafluoride CF4 153.822 250.33 349.79

Calculations of the first ten inorganic compounds

Name Formula MW TF TB
g/mol K K
Silver Ag 107.868 1234 2485
Silver Chloride AgCl 143.321 728.15 1837.15
Silver iodide AgI 234.773 825.15 1779.15
 Aluminium Al 26.982 933 2329.15
Aluminium borhydride AlB3H12 71.51 209.15 319.05
Aluminium bromide AlBr3 266.694 933 529.45
Aluminium Chloride AlCl3 133.34 209.15 453.15
Aluminium Fluoride AlF3 83.977 390.15 1810.15
Aluminium Iodide AlI3 407.695 465.7 658.65
Aluminium Oxide Al2O3 101.961 2325 3253.15
Chlorine Cl2 70.905 172.12 239.12
Hydrogen Chloride HCl 36.461 158.97 188.15
Nitric Acid HNO3 63.013 231.55 356.15
Urea CH4N2O 60.056 405.85 465
Water H2O 18.015 273.15 373.15
Ammonia NH3 17.031 195.41 239.72
 Tc Pc Vc RHOc Zc
K bar cm3/mol g/cm3
426.15 42.54 246 0.6722 0.295
606 49.7 284 0.6981 0.28
340.15 39.72 200 0.7446 0.281
478 53.3 249 0.8426 0.334
301.96 39.46 180.3 0.5794 0.283
449 59.9 163 0.3771 0.262
384.95 41.25 217 0.5572 0.28
455 56.74 190.2 0.5201 0.285
471.2 44.08 248 0.5539 0.279
556.35 45.6 276 0.5573 0.272

Tc Pc Vc RHOc Zc
K bar cm3/mol g/cm3
7480 5066 58.2 1.8534 0.474
2992.1 100.28 744.3 0.1926 0.3
2897.64 97.12 744.3 0.3154 0.3
 7151 5458 39 0.6918 0.358
513.77 112.46 114 0.6273 0.3
763 28.9 310 0.8603 0.141
629 26.35 261.5 0.5099 0.132
2948.13 98.81 744.3 0.1128 0.3
983 35.95 408 0.9993 0.179
5335 1953.2 68.1 1.4972 0.3
417.15 77.11 123.8 0.5727 0.275
324.65 83.09 81 0.4501 0.249
520 68.9 145 0.4346 0.231
706 90.5 218 0.2755 0.336
647.13 220.55 56 0.3217 0.23
405.65 112.78 72.5 0.2349 0.242
Criitical properties and Acentric factor by A.K. Coker

Physical and thermodynamic property data for organic and inorganic

compounds are important in the chemical and petroleum refining industries
The engineering design of process equipment often requires knowledge of
such properties such as heat capacity, enthalpy, density, viscosity
thermal conductivity, etc. The acentric factor is used in thermodynamic
correlations involving fugacity, compressibility factor, fugacity, and virial
coefficients

The critical density  c was determined from dividing molecular weight

by critical volume: MW
c 
Vc

3 TB TC
  log PC  1
7 1  TB
TC
where

 acentric factor
TB = boiling point temperature, K
TC = critical temperature, K
PC = critical pressure, atm
1 bar = 0.98692 atm

Calculations of the first ten organic compounds

Name Formula MW TF TB Tc
g/mol K K K
Bromochlorodifluoromethane CBrClF2 165.365 113.65 269.14 426.15
Bromotrichloromethane CBRrCl3 198.273 252.15 378.05 606
Dibromofluoromethane CBr2F3 148.91 105.15 215.26 340.15
Dibromodifluoromethane CBr2F2 209.816 163.05 295.94 478
Cholorotrifluoromethane CClF3 104.459 92.15 191.74 301.96
Cyanogen chloride CCIN 61.47 266.65 286 449
Dichlorodifluoromethane CCl2F2 120.913 115.15 243.36 384.95
Phosgene CCl2O 98.916 145.37 280.71 455
Trichlorofluoromethane CCl3F 137.368 162.04 296.97 471.2
Carbon Tetrafluoride CF4 153.822 250.33 349.79 556.35

Calculations of the first ten inorganic compounds

Name Formula MW TF TB Tc
g/mol K K K
Silver Ag 107.868 1234 2485 7480
Silver Chloride AgCl 143.321 728.15 1837.15 2992.1
Silver iodide AgI 234.773 825.15 1779.15 2897.64
Aluminium Al 26.982 933 2329.15 7151
 Aluminium borhydride AlB3H12 71.51 209.15 319.05 513.77
Aluminium bromide AlBr3 266.694 933 529.45 763
Aluminium Chloride AlCl3 133.34 209.15 453.15 629
Aluminium Fluoride AlF3 83.977 390.15 1810.15 2948.13
Aluminium Iodide AlI3 407.695 465.7 658.65 983
Aluminium Oxide Al2O3 101.961 2325 3253.15 5335
Chlorine Cl2 70.905 172.12 239.12 417.15
Hydrogen Chloride HCl 36.461 158.97 188.15 324.65
Nitric Acid HNO3 63.013 231.55 356.15 520
Urea CH4N2O 60.056 405.85 465 706
Water H2O 18.015 273.15 373.15 647.13
NH3 17.031 195.41 239.72 405.65
olecular weight

Pc Vc RHOc OMEGA Ώ
bar cm3/mol g/cm3
42.54 246 0.6722 0.192
49.7 284 0.6981 0.202
39.72 200 0.7446 0.177
53.3 249 0.8426 0.199
39.46 180.3 0.5794 0.186
59.9 163 0.3771 0.332
41.25 217 0.5572 0.186
56.74 190.2 0.5201 0.207
44.08 248 0.5539 0.197
45.6 276 0.5573 0.2

Pc Vc RHOc OMEGA Ώ
bar cm3/mol g/cm3
5066 58.2 1.8534 -0.211
100.28 744.3 0.1926 0.36
97.12 744.3 0.3154 0.351
5458 39 0.6918 -0.228
112.46 114 0.6273 0.436
28.9 310 0.8603 0.414
26.35 261.5 0.5099 0.563
98.81 744.3 0.1128 0.356
35.95 408 0.9993 0.349
1953.2 68.1 1.4972 1.2
77.11 123.8 0.5727 0.083
83.09 81 0.4501 0.131
68.9 145 0.4346 0.707
90.5 218 0.2755 0.613
220.55 56 0.3217 0.365
112.78 72.5 0.2349 0.267