Handbook of Solvents - George Wypych - ChemTech - Ventech!

5.3 Methods of calculation of solubility parameters 265
Bond di, � Bond di, � Bond di, � Bond di, �
C≡C 1.19 C−Br 1.94 H−N 1.08 S−As 2.21
C−H 1.08 C−Br 1.85 H−B 1.08 S=As 2.08
C−O 1.50 C−I 2.21 O−S 1.76 Si−Si 2.32
C−O 1.37 C−I 2.05 O−Si 1.64 P−F 1.55
C=O 1.28 C−P 1.81 O−P 1.61 P−Cl 2.01
C−N 1.40 C−B 1.73 N−O 1.36 P−S 1.81
C−N 1.37 C−Sn 2.15 N−N 1.46 B−B 1.77
C=N 1.31 C−As 1.96 O=N 1.20 Sn−Cl 2.35
C=N 1.27 C−Pb 2.20 O=S 1.44 As−Cl 2.16
1.34 C−Si 1.88 O=P 1.45 As−As 2.42
C≡N 1.16 C−Si 1.68 N−P arom
1.58
C−N arom
*
Table 5.3.4. Values of ΔEi for various atoms and types of intermolecular interaction
required to calculate solubility parameters according to equation [5.3.3] (Adapted
from refs. 10,11)
*
Atom and type of intermolecular interaction Label ΔEi, cal/mol
*
C ΔEC *
H ΔEH *
O ΔEO *
N ΔEN *
F ΔEF *
S ΔES *
Cl ΔECl *
Br ΔEBr *
I ΔEI Double bond ΔE *
≠
Dipole-dipole interaction
*
ΔEd Dipole-dipole interaction in nonpolar aprotic solvents of amide type
*
ΔEa,N Dipole-dipole interaction in nonpolar aprotic solvents as in dimethylsulfoxide *
ΔEa,S Aromatic ring *
ΔEar Hydrogen bond *
ΔEh Specific interactions in the presence of =CCl2 group
*
ΔE =CCl2
Specific interactions in 3-5 member rings in the presence of O atom
*
ΔEO,r Isomeric radicals
*
ΔEi 550.7
47.7
142.6
1205.0
24.2
1750.0
-222.7
583
1700
-323
1623
1623
2600
713
3929
2600
2430
-412