Appendix

C5

Estimation of HSP from Correlations

Note that it does not generally or substantially matter
where the additional methyl groups are attached to the
hexane (aliphatic), cyclohexane (cyclic) or benzene
(aromatic) molecules. Only the structure matters; that
is, whether the structures are linear (aliphatic, also
called alkane) or enclosed; and for the latter if the
electrons are associated with specic pairs of carbon
atoms (cyclic), or shared among the entire molecule
(aromatic).
For any of these structures, the molecular size is the
numerical characteristic necessary to estimate the disperse
HSP value.
Molecular size means molecular volume. This is the ratio
of molecular weight divided by density5, as in Table A1-1.
Molecular Weight
Mass=Mole

Density
Mass=Volume
Volume

Mole

Molar Volume

For molecules with eight carbon atoms, examples of each

type are shown in the next three gures.

Molecular weight can be calculated easily from atomic

structure. Solvent density data can usually be found in the
open literature. The conventional units of molar volume
are cc/g-mole.
All three HSP values are functions of temperature6. Of
the three, the disperse parameter varies somewhat
more with temperature. Variation in the disperse HSP
can be estimated at any temperature by comparing the
chosen temperature to the critical temperature7 for the
solvent of interest. This is done by rst calculating
the reduced temperature, which is the ratio of these two
values, as shown in Equation C5-1. For Equation C5-1
to be useful, both temperature values must be in the
same and absolute8 temperature units. Reduced
temperature is known as T reduced, Tr, T red, or T Red
in this book.
Temperature of Interest
T  c 273:15

Critical Temperature
T Critical c 273:15
T  F 460

T Critical F 460
C5  1

T Red

Actually, this is specic gravity which is the ratio of mass density of the
solvent to that of water. Specic gravity, which is a ratio of dimensioned
quantities (mass/volume), is given those units of mass/volume.
6
Examples of how to calculate this variation are found in Chapter 3.
These calculations are based on the thermodynamic denitions of the
three solubility parameters.
7
Critical temperature is the one at which the solvent cant be converted
from a liquid to a gas by a further increase of temperature. At the critical
temperature, both gas and liquid phases are identical. The active phase is
neither a liquid or a gas, but is a uid. A pressure independently exists
where the analogous situation occurs, and it is known as the critical
pressure.
8
Temperature data in Celsius units are converted to absolute units
(kelvin) by addition of 273.15 to the Celsius value. Similarly, temperature
data in Fahrenheit are converted to absolute units (degrees Rankine) by
addition of 460.0 to the Fahrenheit value.

600