This table summarizes group names and provides examples of group assignments.

H. K. Hansen, P. Rasmussen, A. Fredenslund, M. Schiller, and J Gmehling (1991) Ind. Eng. Chem. Res. 30, 2352-2355.
R. Wittig, J. Lohmann, and J. Gmehling (2003) Ind. Eng. Chem. Res. 42, 183-188.
K. Balslev and J. Abildskov (2002) Ind. Eng. Chem. Res. 41, 2047-205.

Only the shaded groups are implemented in the released version

Main GroupMain Group Description Sub Group Symbol

1 CH2 alkane CH3
CH2
CH
C
2 C=C olefin CH2=CH
CH=CH
CH2=C
CH=C
C=C
3 ACH aromatic carbon ACH
AC
4 ACCH2 aromatic carbon-alkane ACCH3
ACCH2
ACCH
5 OH alcohol OH
6 CH3OH methanol CH3OH
7 H2O water H2O
8 ACOH aromatic carbon-alcohol ACOH
9 CH2CO carbonyl CH3CO
CH2CO
10 CHO aldehyde CHO
11 CCOO acetate CH3COO
CH2COO
12 HCOO formate HCOO
13 CH2O ether CH3O
CH2O
CH-O
THF
14 CNH2 primary amine CH3NH2
CH2NH2
CHNH2
15 CNH secondary amine CH3NH
CH2NH
CHNH
16 (C)3N teriary amine CH3N
CH2N
17 ACNH2 aromatic amine ACNH2
18 PYRIDINE pyridine C5H5N
C5H4N
C5H3N
19 CCN nitrile CH3CN
CH2CN
20 COOH carboxylic acid COOH
HCOOH
21 CCl CCl CH2Cl
CHCl
CCl
22 CCl2 CCl2 CH2Cl2
CHCl2
CCl2
23 CCl3 CCl3 CHCl3
CCl3
24 CCl4 CCl4 CCl4
25 ACCl aromatic chlorine ACCl
26 CNO2 nitro on alkane CH3NO2
CH2NO2
CHNO2
27 ACNO2 nitro on aromatic ACNO2
28 CS2 carbon disulfide CS2
29 CH3SH thiol CH3SH
CH2SH
30 FURFRUALfurfural FURFURAL
31 DOH ethanediol DOH
32 I iodo I
33 Br bromo Br
34 C=-C carbon triple bond CH=-C
C=-C
35 DMSO dimethylsulfoxide DMSO
36 ACRY acrylonitrile acrylnitrile
37 ClCC Cl double bonded to carbon Cl-(C=C)
38 ACF fluoride bonded to aromatic ACF
39 DMF formamide DMF
HCON(CH2)2
40 CF2 CF2 CF3
CF2
CF
41 COO acrylate COO
42 SiH2 SiH2 SiH3
SiH2
SiH
Si
43 SiO SiO SiH2O
SiHO
SiO
44 NMP methylpyrrolidone NMP
45 CClF CClF CCl3F
CCl2F
HCCl2F
HCClF
CClF2
HCClF2
CClF3
CCl2F2
46 CON CON CONH2
CONHCH3
CONHCH2
CON(CH3)2
CONCH3CH2
CON(CH2)2
47 OCCOH OCCOH C2H5O2
C2H4O2
48 CH2S sulfide CH3S
CH2S
CHS
49 MORPH morpholine MORPH
50 THIOPHENthiophene C4H4S
C4H3S
C4H2S
52 sulphones CH2SuCH2
CH2SuCH
53 oxides CH2OCH2
CH2OCH
CH2OC
CHOCH
CHOC
COC
54 anhydride O=COC=O
55 nitrile to aromatic AC-CN
56 bromo to aromatic AC-Br
p assignments.
hling (1991) Ind. Eng. Chem. Res. 30, 2352-2355.
42, 183-188.

Example
ethane: 2*CH3 (end group of chain)
n-butane: 2*CH3 2*CH2 (middle group of chain)
isobutane: 3*CH3 1*CH (middle group of chain)
neopentane: 4*CH3 1*C (bonded to 4 other C)
hexene-1: 1*CH3 3*CH2 1*CH2=CH
hexene-2: 1*CH3 2*CH2 1*CH=CH
2-methyl-1-butene: 2*CH3 1*CH2 1*CH2=CH
2-methyl-2-butene: 2*CH3 1*CH=C
2,3-dimethylbutene: 4*CH3 1*C=C
naphthalene: 8*ACH 2*AC
styrene: 1*CH2=CH 5*ACH 1*AC
toluene: 5*ACH 1*ACCH3
ethylbenzene: 5*ACH 1*ACCH2 1*CH3
cumene: 2*CH3 5*ACH 1*ACCH
propanol-2: 2*CH3 1*CH 1*OH
methanol: 1*CH3OH
water: 1*H2O
phenol: 5*ACH 1*ACOH
butanone: 1*CH3 1*CH2 1*CH3CO
pentanone-3: 2*CH3 1*CH2 1*CH2CO
propionaldehyde: 1*CH3 1*CH2 1*CHO
butyl acetate: 1*CH3 3*CH2 1*CH3COO
methyl propionate: 2*CH3 1*CH2COO
ethyl formate: 1*CH3 1*CH2 1*HCOO
dimethyl ether: 1*CH3 1*CH3CO
diethyl ether: 2*CH3 1*CH2 1*CH2O
diisopropyl ether: 4*CH3 1*CH 1*CH-O
tetrahydrofuran: 3*CH2 1*THF
methylamine: 1*CH3NH
ethylamine 1*CH3 1*CH2NH2
isopropylamine: 2*CH3 1*CHNH2
dimethylamine: 1*CH3 1*CH3NH
diethylamine: 2*CH3 1*CH2 1*CH2NH
diisopropylamine: 4*CH2 1*CH 1*CHNH
trimethylamine: 2*CH3 1*CH3N
triethylamine: 3*CH3 2*CH2 1*CH2N
aniline: 5*ACH 1*ACNH2
pyridine: 1*C5H5N
2-methylpyridine: 1*CH3 1*C5H4N
2,3-dimethylpyridine: 2*CH3 1*C5H3N
acetonitrile: 1*CH3CN
propionitrile: 1*CH3 1*CH2CN
acetic acid: 1*CH3 1*COOH
formic acid: 1*HCOOH
butane-1-chloro: 1*CH3 2*CH2 1*CH2Cl
propane-2-chloro: 2*CH3 1*CHCl
2-methylpropane-2-chloro: 2*CH3 1*CCl
methane-dichloro: 1*CH2Cl2
ethane-1,1-dichloro: 1*CH3 1*CHCl2
propane-2,2-dichloro: 2*CH3 1*CCl2
chloroform: 1*CHCl3
ethane-1,1,1-trichloro: 1*CH3 1*CCl3
methane-tetrachloro: 1*CCl4
benzene-chloro: 5*ACH 1*ACCl
nitromethane: 1*CH3NO2
propane-1-nitro: 1*CH3 1*CH2 1*CH2NO2
propane-2-nitro: 2*CH3 1*CHNO2
benzene-nitro: 5*ACH 1*ACNO2
carbon disulfide: 1*CS2
methanethiol: 1*CH3SH
ethanethiol: 1*CH3 1*CH2SH
furfural: 1*furfural
1,2-ethanediol: 1*DOH
iodoethane: 1*CH3 1*CH2 1*I
bromoethane: 1*CH3 1*CH2 1*Br
hexyne-1: 1*CH3 3*CH2 1*CH=-C
hexyne-2: 2*CH3 2*CH2 1*C=-C
dimethylsulfoxide: 1*DMSO
acrylnitrile: 1*acrylnitrile
ethene-trichloro: 1*CH=C 3*Cl-(C=C)
hexafluorobenzene: 6*ACF
n,n-dimethylformamide: 1*DMF
n,n-diethylformamide: 2*CH3 1*HCON(CH2)2
perfluorohexane: 2*CF3 4*CF2

perfluoromethylcyclohexane: 1*CF3 5*CF2 1*CF

methyl acrylate: 1*CH3 1*CH2=CH1*COO
methylsilane: 1*CH3 1*SiH3
diethylsilane: 2*CH3 2*CH2 1*SiH2
heptamethyltrisiloxane: 7*CH3 2*SiO 1*SiH
heptamethyldisiloxane: 6*CH3 1*SiO 1*Si
1,3-dimethyldisiloxane: 3*CH3 1*SiH2O 1*SiH2
1,1,3,3-tetramethyldisiloxane: 4*CH3 1*SiHO 1*SiH
octamethylcyclotetrasiloxane: 8*CH3 4*SiO
n-methylpyrrolidone: 1*NMP
trichlorofluoromethane: 1*CCl3F
tetrachloro-1,2-difluoroethane: 2*CCl2F
dichlorofluoromethane: 1*HCCl2F
1-chloro-1,2,2,2-tetrafluoroethane: 1*CF3 1*HCClF
1,2-dichlorotetrafluoroethane: 2*CClF2
chlorodifluoromethane: 1*HCClF2
chlorotrifluoromethane: 1*CClF3
dichlorodifluoromethane: 1*CCl2F2
acetamide: 1*CH3 1*CONH2
n-methylacetamide: 1*CH3 1*CONHCH3
n-ethylacetamide: 2*CH3 1*CONHCH2
n,n-dimethylacetamide: 1*CH3 1*CON(CH3)2
n,n-methylethylacetamide: 2*CH3 1*CONCH3CH2
n,n-diethylacetamide: 3*CH3 1*CON(CH2)2
2-ethoxyethanol: 1*CH3 1*CH2 1*C2H5O2
2-ethoxy-1-propanol: 2*CH3 1*CH2 1*C2H4O2
dimethylsulfide: 1*CH3 1*CH3S
diethylsulfide: 2*CH3 1*CH2 1*CH2S
diisopropylsulfide: 4*CH3 1*CH 1*CHS
morpholine: 1*MORPH
thiophene: 1*C4H4S
2-methylthiophene: 1*CH3 1*C4H3S
2,3-dimethylthiophene: 2*CH3 1*C4H2S
sulfolane: 1*CH2SuCH2 2*CH3
2,4-dimethyl sulfolane: 1*CH2SuCH 1*CH3 1*CH2 1*CH
ethylene oxide: 1*CH2OCH2
1,2-propylene oxide 1*CH3 1*CH2OCH
1,2-epoxy-2-methylpropane: 2*CH3 1*CH2OC
2,3-epoxybutane: 2*CH3 1*CHOCH
2,3-epoxy-2-methylbutane: 3*CH3 1*CHOCH
2,3-epoxy-2,3-dimethylbutane: 4*CH3 1*COC
acetic anyhydride: 2*CH3 1*O=COC=O
benzonitrile: 5*ACH 1*AC-CN
bromobenzene: 5*ACH 1*AC-Br
This table summarizes group names and provides examples of group assignments.
Magnussen, T.; Rasmussen, P.; Fredenslund, A. "UNIFAC Parameter Table for Prediciton of Liquid-Liquid Equilibria", IEC. Proc. D

Only the shaded groups are implemented in the released version

Main Group Symbol Main Group Description Sub Group Symbol

1 CH2 alkane CH3
CH2
CH
C
2 C=C olefin CH2=CH
CH=CH
CH=C
CH2=C
3 ACH aromatic carbon ACH
AC
4 ACCH2 aromatic carbon-alkane ACCH3
ACCH2
ACCH
5 OH alcohol OH
6 P1 1-propanol P1
7 P2 2-propanol P2
8 H2O water H2O
9 ACOH aromatic OH ACOH
10 CH2CO ketone CH3CO
CH2CO
11 CHO aldehyde CHO
12 furfural furfual furfural
13 COOH carboxylic acid COOH
HCOOH
14 COOC ester CH3COO
CH2COO
15 CH2O ether CH3O
CH2O
CH-O
FCH2O
16 CCl chloroalkane CH2Cl
CHCl
CCl
17 CCl2 dichloroalkane CH2Cl2
CHCl2
CCl2
18 CCl3 trichloroalkane CHCl3
 CCl3
19 CCl4 tetrachloromethane CCl4
20 ACCl Cl on aromatic ACCl
21 CCN nitrile CH3CN
CH2CN
22 ACNH2 NH2 on aromatic ACNH2
23 CNO2 nitro CH3NO2
CH2NO2
CHNO2
24 ACNO2 nitro on aromatic ACNO2
25 DOH glycol (CH2OH)2
26 DEOH diethylene glycol (HOCH2CH2)2O
27 pyridine pyridine C5H5N
C5H4N
C5H3N
28 TCE trichloroethylene CCl2=CHCl
29 MFA methylformamide HCONHCH3
30 DMFA dimethylformamide HCON(CH3)2
31 TMS tetramethylenesulfone (CH2)4SO2
32 DMSO dimethyl sulfoxide (CH3)2SO
iton of Liquid-Liquid Equilibria", IEC. Proc. Des. Dev., 1981, 20, 331-339.

Example
ethane: 2*CH3 (end group of chain)
n-butane: 2*CH3 2*CH2 (middle group of chain)
isobutane: 3*CH3 1*CH (middle group of chain)
neopentane: 4*CH3 1*C (bonded to 4 other C)
1-hexene: 1*CH3 3*CH2 1*CH2=CH
2-hexene: 2*CH3 2*CH2 1*CH=CH
2-methyl-2-butene: 3*CH3 1*CH=C
2-methyl-1-butene: 2*CH3 1*CH2 1*CH2=C
benzene: 6*ACH
styrene: 1*CH2=CH5ACH 1*AC
toluene: 5*ACH 1*ACCH3
ethylbenzene: 1*CH3 5*ACH 1*ACCH2
cumene: 2*CH3 5*ACH 1*ACCH
2-butanol: 2*CH3 1*CH2 1*CH 1*OH
1-propanol: 1*P1
2-propanol: 1*P2
water: 1*H2O
phenol: 5*ACH 1*ACOH
ketone is second C: 2-butanone: 1*CH3 1*CH2 1*CH3CO
ketone is another C: 3-pentanone: 2*CH3 1*CH2 1*CH2CO
acetaldehyde: 1*CH3 1*CHO
furfural: 1*furfural
acetic acid: 1*CH3 1*COOH
formic acid: 1*HCOOH
butyl acetate: 1*CH3 3*CH2 1*CH3COO
butyl propionate: 2*CH3 3*CH2 1*CH2COO
dimethyl ether: 1*CH3 1*CH3O
diethyl ether: 2*CH3 1*CH2 1*CH2O
diisopropyl ether: 4*CH3 1*CH 1*CH-O
tetrahydrofuran: 3*CH2 1*FCH2O
1-chlorobutane: 1*CH3 2*CH2 1*CH2Cl
2-chloropropane: 2*CH3 1*CHCl
2-chloro-2-methylpropane: 3*CH3 1*CCl
dichloromethane: 1*CH2Cl2
1,1-dichloroethane: 1*CH3 1*CHCl2
2,2-dichloropropane: 2*CH3 1*CCl2
chloroform: 1*CHCl3
1,1,1-trichloroethane: 1*CH3 1*CCl3
tetrachloroethane: 1*CCl4
chlorobenzene: 5*ACH 1ACCl
acetonitrile: 1*CH3CN
propionitrile: 1*CH3 1*CH2CN
aniline: 5*ACH 1*ACNH2
nitromethane: 1*CH3NO2
1-nitropropane: 1*CH3 1*CH2 1*CH2NO2
2-nitropropane: 2*CH3 1*CHNO2
nitrobenzene: 5*ACH 1*ACNO2
1,2-ethanediol: 1*(CH2OH)2
diethylene glycol: 1*(HOCH2CH2)2O
pyridine: 1*C5H5N
3-methylphyridine: 1*CH3 1*C5H4N
2,3-methylpyridine: 2*CH3 2*C5H3N
trichloroethylene: 1*CCl2=CHCl
methylformamide: 1*HCONHCH3
dimethylformamide: 1*HCON(CH3)2
tetramethylsulfone: 1*(CH2)4SO2
dimethylsulfoxide: 1*(CH3)2SO