Joback Method - Example Calculation

Example Calculation

Acetone (Propanone) is the simplest ketone and is separated into three groups in the Joback method: two methyl groups (-CH3) and one ketone group (C=O). Since the methyl group is present twice, its contributions have to be added twice.

-CH33
>C=O (nonring)
Property No. of groups Group value No. of groups Group value Estimated Value Unit
Tc 2 0.0141 1 0.0380 0.0662 500.5590 K
Pc 2 −1.20E−03 1 3.10E−03 7.00E−04 48.0250 bar
Vc 2 65.0000 1 62.0000 192.0000 209.5000 cm3/mol
Tb 2 23.5800 1 76.7500 123.9100 322.1100 K
Tm 2 −5.1000 1 61.2000 51.0000 173.5000 K
Hformation 2 −76.4500 1 −133.2200 −286.1200 −217.8300 kJ/mol
Gformation 2 −43.9600 1 −120.5000 −208.4200 −154.5400 kJ/mol
Cpa 2 1.95E+01 1 6.45E+00 4.55E+01
Cpb 2 −8.08E−03 1 6.70E−02 5.08E−02
Cpc 2 1.53E−04 1 −3.57E−05 2.70E−04
Cpd 2 −9.67E−08 1 2.86E−09 −1.91E−07
Cp at T=300 K 75.3264 J/(mol*K)
Hfusion 2 0.9080 1 4.1890 6.0050 5.1250 kJ/mol
Hvap 2 2.3730 1 8.9720 13.7180 29.018 kJ/mol
ηa 2 548.2900 1 340.3500 1436.9300
ηb 2 −1.7190 1 −0.3500 −3.7880
η at T=300 K 0.0002942 Pa s

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