Estimation of HSP from Correlations

Appendix

C5

Table C5-4 Results of Calculation of Polar HSP via Equation C5-4 (Continued)

Dipole
Moment D

Vm
cc/mol

n-Propanol

1.71

74.8

n-Propyl Acetate

1.8

n-Propyl Bromide

2.18

Octane

Pentane
Perchloroethylene

Solvent Name

Pentyl Propionate
PFC

Eq. C5-4

MPa

% Difference

7.41

6.8

8.90%

114.9

6.28

4.3

46.00%

92.3

8.48

5.8

46.30%

162.5

115.3

102.3

5.7

1.8

164.6

5.25

5.2

0.90%

5060

201.2

Propylene Carbonate

4.98

84.7

20.23

Propylene Glycol

2.66

73.5

11.6

Propylene Glycol
Monoethyl Ether

1.29

115.9

Tertiary Butyl Acetate

1.9

134

Tetrahydrofuran

2.69

81.1

Trichloroethylene

1.26

89.8

Styrene

0.06

Toluene

0.36

18

12.40%

9.4

23.40%

4.49

6.5

30.90%

6.14

3.4

80.80%

11.17

5.7

96.00%

4.95

3.1

59.80%

115

0.21

79.40%

106.3

1.31

1.4

6.70%

So the calculation of polar HSP is done by using Equation

C5-418 which only requires knowledge of the molar
volume and dipole moment.

C.3.1. Results of Calculation of the Polar

Solubility Parameter
Equation C5-4 should be used with care. It is not correct to
declare the polar HSP as zero for a solvent with no
measured dipole moment (m 0).
As determined from solubility experiments (Appendix
C9), the polar HSP value for trans-1,2-dichloroethylene is
not zero, but 7.8 MPa.
Outcomes of such calculations, and comparison with
values reported by Dr. Hansen in Chapter 2, Endnote I, are
tabulated in Table C5-4.

18

Appendix A1 Table
A1-5

The units for d in Equation C5-4 are those commonly used in this
book, MPa.

Its clear from this table that Equation C5-4 produces

inconsistent outcomes19.
The three solvents with the poorest agreement between
using Equation C5-4 and values reported by Dr. Hansen are
the valued cleaning solvents HFE-7100 and HFE-7200 (as
well as HFE-7500).
The reason that Equation C5-4 produces high values for
these three solvents is the high value used for the dipole
momentE. Yet practical experience with these solvents
suggests that the polar HSP values from Dr. Hansen are
much more nearly correct. The reason for the difference is
unknown.
The results of Table C5-4 are plotted in Figure C5-13.

19

One reason for concern about use of Equation C5-4 is that

information about dipole moments is often obtained from molecular
orbital calculations and not from empirical measurements. Values
obtained from molecular orbital calculations do not include the effect of
the environment. Multiple entries for a solvent in Table C5-4 result from
different reported values of dipole moment.

611