Appendix

| C6 |

Estimation of HSP using the

Pythagorean Theorem
A. ESTIMATION OF ALL HSP USING
THE PYTHAGOREAN THEOREM
Equation 2.7, the Pythagorean Theorem, is the reference
equation by which solubility parameters are interrelated.
Said another way, the three individual HSP must combine
to produce the Hildebrand solubility parameter as given by
Equation 2.7.

Equation C6-1 can be used1, and all three HSP values be

calculated/estimated by using data that are normally and
often conveniently available:



DHvaporization  RT
2
 d2disperse  d2polar
dhydrogen bonding
Vm
C6  1



2:7

Since data about the heat of vaporization of solvents can

usually be found in the literature, the value of dHildebrand
can be easily calculated by using Equation 2.6.





d2Hildebrand d2polar d2disperse d2hydrogen bonding

DHvaporization  RT
d2Hildebrand
Vm
d2polar d2disperse d2hydrogen bonding
2:6

No measurements of solubility are involved; no experiments need be done; no optimization routines in

a spreadsheet need be executed. Hence, all three HSP can
be checked for consistency.
But thats not the chief empirical value of Equation 2.6.
Rather, this is to estimate one of the three HSP values when
the two others (and the Hildebrand Solubility Parameter)
are known.
Equation 2.6 is particularly useful for estimating
the hydrogen bonding parameter (dhydrogen bonding) because
both the dispersion and polar parameters can often be
reliably estimated from correlations based on solvent
structure (Figure C5-1 or Table C5-1, and Equation C5-3).
This is restated as Equation C6-1.

Normal boiling point (in  C at 760 mm Torr [mm Hg]).

Vapor pressure (noted as P2 in Torr) at any other
temperature (T2 in  C).
Density (specic gravity, in g/cc) at the temperature at
which the HSP are desired.
Molecular weight (in g/g-mole).
Critical temperature (in  C).
Dipole moment (in D).

First, one estimates the heat of vaporization2 using

Equation C6-2A,3.

8
>
>
<

DHvap

1:98588  ln

"

>
>
:

T Boiling

P2
760

9
>
>
=

#
1
1
>
>

T 2 273:15 ;
273:15
C6  2

1
The value of R (the universal gas constant) for these units is 1.98588
cal/g-mole-K.
2
One may use empirical data of latent heat of vaporization instead of
calculating it from measurements of vapor pressure and a curve t of
them.
3
Equation C6-2 is NOT the Antoine Equation (found in Appendix C10
Footnote 6 and Equation A2-17). The constants (A and B) provided in
Table A1-1 are not useful in the above equation. The constants in the
Antoine Equation do not include the latent heat of vaporization. The
logarithmic function in the Antoine Equation is that to the base 10.

615