Hoy Solubility Parameters

C10

Appendix

Table C10-1 Comparison of Bases for Solubility Parameters

Technology
Author

d TOTAL

d Disperse

d Polar

d H Bonding

Hansen

Equation 2.6

Figure C5-1 or Table C5-1

Equation
C5-4

By difference using
Equation 2.6

Hoy

Equations C10-1,
or C10-2

By difference using Equation 2.7

(Equation C10-9)

Equation
C10-8

Equation C10-7

associated with every functional group that makes up

a solvent (or soil, or polymer) molecule. There are as many
values of FT as there are independent groups identied as
constituents of the solvent molecule; that number is i.
Each independent group may be incorporated more than
once in the solvent molecule; the number of occurrences
of each group in the solvent molecule is Ni. Values of FT for
a variety of functional groups are given in Table C10-43.


FT
F has the units of (calories  cc)1/2 so that
has the
Vm
4
1/2
units of (calories/cc) .
M is the molecular weight
Pof the solvent, in g/g-mole.
In equation form, M Ni  Mi . In other words,
the molecular weight can be exactly calculated from
a knowledge of the molecular weight of each
component group, and the number of each present.
The solvent density, r, is usually given in g/cc. As with
other critical properties, the method of Equation C8-1
can also be used to estimate solvent density from group
contribution parameters. This can be done by using
a group contribution equation to estimate solvent
molar volume (Vm), and multiplying that outcome by
the solvent molecular weight (M), as calculated above.
Values of the molar volume contribution for a variety of
functional groups are also given in Table C10-45 (and
Table C8-1). In other words, the density of the solvent

Values of FT can be found in Table I of Hoy's

1985 reference cited in
r
D Cohesive Energy
which
Volume
was shown by Scatchard (Scatchard G. Equilibrium in Nonelectrolyte
Mixtures, Chemistry Review, Vol. 44, No. 1, 1949, pages 7 to 35) to be
an additive parameter. In other words, the use of the parameters FT (and
its counterpart FP) is an application of the Pythagorean Theorem
(Equation 2.7).
4
The units of Hoy's intermediate methods (FT, etc.) are retained for
consistency. But values of solubility parameters will be those of Hansen
Solubility Parameters used in this book, MPa1/2.
5
Values are taken from page 184, Table 15, second column from left [V],
of Barton, AFM. CRC Handbook of Solubility Parameters and Other
Cohesion Parameters, 2nd Ed. Boca Raton, FL: CRC Press; 1991 (Chapter 2
Endnote P). Barton notes that these values of molar volume were originally
developed by Beerbower and then independently by Hoy. But the values
used in this work (before optimization) were interpolated from those two
sources and reported by K.E. Museberger in American Chemical Society
Symposium Series, Number 371 (Pesticide Formulations), Volume 151,
1988.
Footnote 1. The FTs are basically values of

can be estimated from knowledge of the molar volume

of each group component, the number of each present,
and the solvent's molecular weight.
Hence, the molar volume of the solvent, Vm, is the ratio
of the molecular weight to the solvent density (in units
of cc/g-mole).
K1 and K2 are empirical constants, which are embodied
in a simple linear relationship between Hoy's total
solubility parameter and his group contribution terms.

Thus, with Hoy's methods one requires only information

about the structure of the solvent to estimate the total
solubility parameter. No physical or solubility measurements are required.
The specic equation developed by Hoy to estimate total
solubility parameter is given as Equation C10-2. Here K1
becomes the dimensional conversion factor 2.0455
(MPa1/2/[cal/cc]1/2), and K2 became 135.1, which is taken
to be a base value for FT. The units of dTOTAL in Equation
C10-2 are those of this book, MPa1/2.
P



135:1 Ni  FTi 
d TOTAL 2:0455 
C10  2
VM
(Hoy)
Don't mistake the total solubility parameter of Hoy in
Equation C10-2 for that of Hildebrand in Equation 2.6.
That of Hildebrand, and Hansen, is calculated from the
energy of vaporization divided by volume. That of Hoy6 is
estimated based on correlations based on the impact of
group structure. The only thing which the two total solubility parameters share is their name!
dTOTAL

v8

9 v
u
) "(
)
#
(
u
u<
u R  T  r= u
P  Tc3
2:303  B  t2
t

1
t
 1
:
;
M
Pc  T 3
t C2

C10  3

The units of Equation C10-3 are not straightforward,

and the equation has been miscopied by both Hoy and
others writing in the scientic literature. For the units of
6
In Hoy's original publication, the reference of Footnote 1, he proposed
another dening equation for the total solubility parameter. It was an
equation inclusive of several physical properties not always available
from scientic literature (similar to Equation C5-4 where the dipole
moment is needed to compute the Hansen hydrogen bonding solubility
parameter).

655