Академический Документы
Профессиональный Документы
Культура Документы
C8
Gi (Tc)
Joback
Gi (Pc)
Gi (Vc)
Group
Gi (Tc)
Gi (Pc)
Gi (Vc)
Ring groups
OH (phenol)
0.0310
0.0200
3.0
OH (phenol)
0.0240
0.0184
25.0
O
0.0140
0.1200
8.0
O
0.0098
0.0048
13.0
>CO
0.0330
0.2000
50.0
>CO
0.0284
0.0028
55.0
CH2
0.0130
0.1840
44.5
CH2
0.0100
0.0025
48.0
>C<
0.0070
0.1540
31.0
>C<
0.0042
0.0061
27.0
>NH
0.0240
0.0900
27.0
>-
0.0070
0.1300
32.0
S
0.0080
0.2400
45.0
>CH
0.0120
0.1920
46.0
>CH
0.0122
0.0004
38.0
CH
0.0110
0.1540
37.0
CH
0.0082
0.0011
41.0
C<
0.0110
0.1540
37.0
C<
0.0143
0.0008
32.0
0.0110
0.1540
37.0
3
The group identications in Table C8-2 are: C (carbon atom), H
(hydrogen atom), F (uorine atom), Cl (chlorine atom), Br (bromine
atom), I (iodine atom), B (boron atom), S (sulfur atom), N (nitrogen
atom), Si (silicon atom); CN (carbon atom covalently bonded with
nitrogen atom); e (any covalent bond),> or < (any two covalent
bond connections to other atoms not shown), (double or unsaturated
covalent bond); and non-ring (not within an unsaturated or saturated
cyclic solvent).
Where only one bonded connection is shown, such as CH3, CH2,
>N, or hCH, the noted group must be located at one end of the
solvents structure.
The group identied as >CH includes any three other groups
covalently bonded to the noted carbon atom, and one of the four
required covalent bonds attached to the noted hydrogen atom. The
>CH group might be attached within solvents such as isopropanol,
2-bromopropane, isobutane, chloroform, or methyl isopropyl ether.
630
58.1, its normal boiling point is 55.5 C. Its critical properties are calculated in Table C8-3.
The values of critical properties for acetone as calculated by the Lydersen and Joback methods, and reported
in the literature, are: critical temperature, 229.8 C,
237.6 C, and 235 C respectively; critical pressure,
716.9 psig, 696.5 psig, and 681.7 psig respectively; and
critical volume, 210 cc/g-mole, 209.5 cc/g-mole, and 209
cc/g-mole respectively.
These outcomes are typical of the application of group
contribution methods.
C. GROUP CONTRIBUTION
METHODS FOR HANSEN SOLUBILITY
PARAMETERS
There are at least six published methods for the estimation
of HSP via group contribution methods. Probably the best
comparative examination of their use is the computer
program HSPiPG, and the most complete description
of them is by Miller-Chou and KoenigH These authors
include: DunkelI, SmallJ, FedorsK, Hoy (Appendix C10)L,
BeerbowerM, and Van KrevelenN.