The
Hansen Solubility Parameters
are a tool for predicting if a material will dissolve in given solvent or solvent mixture.
Every solvent and solute has three parameters:
δd |
the dispersion contribution to δ |
δp |
the polar contribution to δ |
δh |
the hydrogen bonding contribution to δ |
where δ is the Hildebrand solubility parameter.
The relation
δ
2=δ
d2+δ
p2+δ
h2
holds. Thus for non-polar solvents δ
p=δ
h=0 and δ
d=δ.
Solutes do also have δ
d,δ
p and δ
h
parameters and an additional parameter, the interaction radius, R
0. To determine
the solubility of a compound the distance R
a is calculated.
Ra2=
4×Δδd2+
Δδp2+
Δδh2
|
where |
Δδd2=
(δsolute,d-δsolvent,d)2 |
Δδp2=
(δsolute,p-δsolvent,p)2 |
Δδh2=
(δsolute,h-δsolvent,h)2 |
A solute dissolves in a solvent mixture if R
0<R
a.
Please note that the accuracy of using the Hansen parameters to be predict solubility seems to be "moderate".
"Using a data set of 75 polymers, we find that the Hildebrand model displays a predictive accuracy of 60% for solvents and 76% for nonsolvents.
The Hansen model leads to a similar performance; on the basis of a data set of 25 polymers for which Hansen parameters are available,
we find that it has an accuracy of 67% for solvents and 76% for nonsolvents. …
Our analysis shows that while the Hildebrand model has a predictive accuracy of 70–75% for nonpolar polymers,
it performs rather poorly for polar polymers (with an accuracy of 57%)."
See:
"Critical Assessment of the Hildebrand and Hansen Solubility Parameters for Polymers";
Venkatram S, Kim C, Chandrasekaran A, Rampi Ramprasad R; J. Chem. Inf. Model. 2019 (59) 4188–4194
For a more detailed discussion see
→The Official Hansen Solubility Parameter Site or
→Solubility Parameters: Theory and Application
The parameters here are given in (
cal/
mL)
½ in order to be consistent with Hildebrand δ.
To convert to MPa
½ multiply by 2.05.
Name | δd | δp | δh |
---|
hexane | 7.28 | 0.00 | 0.00 |
2,2,4-trimethylpentane | 6.99 | 0.00 | 0.00 |
1,1,2-trichloro-1,2,2-trifluoroethane | 7.19 | 0.78 | 0.00 |
nonane | 7.68 | 0.00 | 0.00 |
butane | 6.89 | 0.00 | 0.00 |
methylcyclohexane | 7.82 | 0.00 | 0.00 |
cis-decalin | 8.80 | 0.00 | 0.00 |
pentane | 7.09 | 0.00 | 0.00 |
heptane | 7.48 | 0.00 | 0.00 |
octane | 7.58 | 0.00 | 0.00 |
tetrachloroethene | 8.95 | 2.79 | 0.00 |
dodecane | 7.82 | 0.00 | 0.00 |
cyclohexane | 8.21 | 0.00 | 0.10 |
1,1-dichloroethane | 8.12 | 4.01 | 0.20 |
carbon disulfide | 10.02 | 0.00 | 0.29 |
tetrachloromethane | 8.70 | 0.00 | 0.29 |
1,4-diethylbenzene | 8.80 | 0.00 | 0.29 |
ethylbenzene | 8.70 | 0.29 | 0.68 |
benzene | 9.00 | 0.00 | 0.98 |
toluene | 8.80 | 0.68 | 0.98 |
chlorobenzene | 9.28 | 2.10 | 1.00 |
1-chlorobutane | 7.95 | 2.70 | 1.00 |
diethyl sulfide | 8.25 | 1.50 | 1.00 |
chlorocyclohexane | 8.50 | 2.70 | 1.00 |
1,1,1-trichloroethane | 8.25 | 2.10 | 1.00 |
tetrahydronaphthalene | 9.58 | 0.98 | 1.42 |
benzyl butyl phthalate | 9.30 | 5.50 | 1.50 |
1,3-dimethylbenzene | 8.65 | 0.50 | 1.50 |
bis(2-chloroethyl) ether | 9.20 | 4.40 | 1.50 |
1,4-dimethylbenzene | 8.60 | 0.50 | 1.52 |
1,2-dimethylbenzene | 8.70 | 0.49 | 1.52 |
diisopropyl ether | 7.40 | 1.60 | 1.60 |
1,2-dichlorobenzene | 9.39 | 3.08 | 1.61 |
acetophenone | 9.58 | 4.20 | 1.81 |
dimethyl carbonate | 8.51 | 4.69 | 1.91 |
4-chlorotrifluoromethylbenzene | 8.80 | 2.88 | 1.91 |
chloromethane | 7.48 | 2.98 | 1.91 |
1-bromonaphthalene | 9.94 | 1.50 | 2.00 |
dipropylamine | 7.50 | 0.70 | 2.00 |
2-nitropropane | 7.92 | 5.92 | 2.00 |
2-heptanone | 7.92 | 2.79 | 2.00 |
4-methyl-2-oxo-1,3-dioxolane | 9.78 | 8.80 | 2.00 |
4-methyl-2-pentanone | 7.48 | 2.98 | 2.00 |
1,2-dichloroethane | 9.29 | 3.62 | 2.00 |
5-methyl-2-hexanone | 7.82 | 2.79 | 2.00 |
nitrobenzene | 9.78 | 4.20 | 2.00 |
styrene | 9.09 | 0.49 | 2.00 |
2,6-dimethyl-4-heptanone | 7.82 | 1.81 | 2.00 |
d-limonene | 8.40 | 0.90 | 2.10 |
1,1-dichloroethene | 8.31 | 3.32 | 2.20 |
nitroethane | 7.82 | 7.58 | 2.20 |
methyl (Z)-9-octadecenoate | 7.90 | 1.90 | 2.20 |
2-pentanone | 7.82 | 3.72 | 2.30 |
3-pentanone | 7.72 | 3.72 | 2.30 |
dimethyl phthalate | 9.09 | 5.28 | 2.40 |
dibutyl ether | 7.04 | 1.42 | 2.49 |
2-butanone | 7.82 | 4.40 | 2.49 |
cyclohexanone | 8.70 | 3.08 | 2.49 |
2-(2-ethylhexoxy)ethanol | 7.82 | 2.00 | 2.49 |
diethyl ether | 7.09 | 1.42 | 2.49 |
nitromethane | 7.72 | 9.19 | 2.49 |
1,3-dioxolan-2-one | 9.48 | 10.61 | 2.49 |
2-ethylhexyl acetate | 7.70 | 1.40 | 2.50 |
benzyl benzoate | 9.80 | 2.50 | 2.50 |
trioctyl phosphate | 8.00 | 1.00 | 2.50 |
butanenitrile | 7.50 | 6.10 | 2.50 |
trichloroethene | 8.80 | 1.52 | 2.59 |
benzaldehyde | 9.15 | 4.20 | 2.60 |
furan | 8.70 | 0.90 | 2.60 |
octadecanoic acid | 8.02 | 1.61 | 2.69 |
butyl benzoate | 8.90 | 2.70 | 2.70 |
1-nitropropane | 8.10 | 6.00 | 2.70 |
trichloromethane | 8.70 | 1.52 | 2.79 |
tert-butyl acetate | 6.99 | 1.71 | 2.88 |
pyridine | 9.29 | 4.30 | 2.88 |
2-methylpropyl 2-methylpropanoate | 7.38 | 1.42 | 2.88 |
naphthalene | 9.39 | 0.98 | 2.88 |
acetonitrile | 7.48 | 8.80 | 2.98 |
diethyl carbonate | 8.12 | 1.52 | 2.98 |
dichloromethane | 8.90 | 3.08 | 2.98 |
diethylamine | 7.30 | 1.10 | 3.00 |
4-methyl-3-penten-2-one | 7.97 | 3.50 | 3.00 |
hexyl acetate | 7.82 | 1.42 | 3.00 |
butyl acetate | 7.72 | 1.81 | 3.08 |
2-methylpropyl acetate | 7.38 | 1.81 | 3.08 |
pentyl propanoate | 7.58 | 1.42 | 3.18 |
cyclohexanamine | 8.51 | 1.52 | 3.23 |
butyl propanoate | 7.48 | 1.61 | 3.32 |
2-methylpentyl acetate | 7.38 | 1.52 | 3.32 |
pentyl acetate | 7.72 | 1.91 | 3.32 |
2-propanone | 7.58 | 5.08 | 3.42 |
3-methylbutyl acetate | 7.48 | 1.52 | 3.42 |
dibutyl (2Z)-2-butenedioate | 7.50 | 1.50 | 3.50 |
N-methylpyrrolidone | 8.80 | 6.01 | 3.52 |
ethyl acetate | 7.72 | 2.59 | 3.52 |
ethanethiol | 7.72 | 3.23 | 3.52 |
diethyl sulphate | 7.72 | 7.19 | 3.52 |
oxepan-2-one | 9.60 | 7.30 | 3.60 |
propyl propanoate | 7.58 | 1.81 | 3.62 |
dioxane | 9.29 | 0.88 | 3.62 |
dibenzyl ether | 8.51 | 1.81 | 3.62 |
3,5,5-trimethyl-2-cyclohexen-1-one | 8.12 | 4.01 | 3.62 |
oxolan-2-one | 9.29 | 8.12 | 3.62 |
1-methylpropyl acetate | 7.33 | 1.80 | 3.71 |
methyl acetate | 7.58 | 3.52 | 3.72 |
propyl acetate | 7.48 | 2.10 | 3.72 |
ethyl formate | 7.58 | 3.52 | 3.72 |
quinoline | 9.48 | 3.42 | 3.72 |
1-ethoxypropan-2-yl acetate | 7.60 | 3.10 | 3.80 |
tetrahydrofuran | 8.21 | 2.79 | 3.91 |
2-(2-butoxyethoxy)ethyl acetate | 7.82 | 2.00 | 4.01 |
isopropyl acetate | 7.28 | 2.20 | 4.01 |
dimethoxymethane | 7.35 | 0.90 | 4.20 |
ethyl 3-ethoxypropanoate | 7.92 | 1.61 | 4.30 |
2-butoxyethyl acetate | 7.48 | 2.20 | 4.30 |
2-hexyloxyethanol | 7.92 | 2.69 | 4.40 |
thiolane-1-oxide | 8.90 | 5.38 | 4.45 |
2-(2-ethoxyethoxy)ethyl acetate | 7.92 | 2.49 | 4.50 |
1-butoxypropan-2-ol | 7.50 | 2.20 | 4.50 |
morpholine | 9.19 | 2.40 | 4.50 |
dimethyl hexanedioate | 8.26 | 2.10 | 4.50 |
1,3-dioxolane | 8.80 | 3.20 | 4.50 |
acetic anhydride | 7.50 | 5.40 | 4.70 |
(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate | 7.38 | 2.98 | 4.79 |
1-methoxypropan-2-yl acetate | 7.58 | 2.69 | 4.79 |
benzoic acid | 8.90 | 3.42 | 4.79 |
1,2-diacetoxyethane | 7.90 | 2.30 | 4.80 |
sulfolane | 8.80 | 8.80 | 4.80 |
decanol | 8.60 | 1.32 | 4.89 |
aniline | 9.48 | 2.49 | 4.89 |
2-(2-butoxypropoxy)propan-1-ol | 7.70 | 3.20 | 4.90 |
dimethyl sulfoxide | 9.00 | 8.02 | 4.99 |
N,N-dimethylacetamide | 8.21 | 5.62 | 4.99 |
butyl lactate | 7.65 | 3.20 | 5.00 |
2-ethoxyethyl acetate | 7.78 | 2.30 | 5.18 |
2-(2-butoxyethoxy)ethanol | 7.82 | 3.42 | 5.18 |
butanoic acid | 7.30 | 2.00 | 5.20 |
4-hydroxy-4-methylpentan-2-one | 7.65 | 4.01 | 5.28 |
2-(2-methoxypropoxy)propan-1-ol | 7.60 | 2.80 | 5.50 |
2-(2-propoxyethoxy)ethanol | 7.82 | 3.52 | 5.52 |
N,N-dimethylformamide | 8.51 | 6.70 | 5.52 |
1-phenoxy-2-propanol | 8.50 | 2.59 | 5.62 |
1-methoxy-2-propanol | 7.58 | 3.08 | 5.72 |
2-ethylhexanol | 7.82 | 1.61 | 5.82 |
2-butoxyethanol | 7.76 | 2.49 | 6.01 |
4-methyl-2-pentanol | 7.47 | 1.61 | 6.01 |
2-(2-ethoxyethoxy)ethanol | 7.92 | 4.50 | 6.01 |
methyl 2-hydroxybenzoate | 7.82 | 3.91 | 6.01 |
ethyl 2-hydroxypropanoate | 7.80 | 3.72 | 6.11 |
2-(2-methoxyethoxy)ethanol | 7.92 | 3.81 | 6.21 |
tetrahydrofurfuryl alcohol | 8.70 | 4.00 | 6.30 |
3-methylphenol | 8.82 | 2.49 | 6.31 |
3-methyl-1-butanol | 7.70 | 2.50 | 6.50 |
2-propoxyethanol | 7.92 | 4.20 | 6.60 |
cyclohexanol | 8.50 | 2.00 | 6.60 |
acetic acid | 7.09 | 3.91 | 6.60 |
2-ethyl-1-butanol | 7.70 | 2.10 | 6.60 |
benzyl alcohol | 9.00 | 3.08 | 6.70 |
pentanol | 7.82 | 2.20 | 6.80 |
2-ethoxyethanol | 7.92 | 4.50 | 6.99 |
(Z)-octadec-9-enoic acid | 6.99 | 1.52 | 6.99 |
2-phenoxyethanol | 8.70 | 2.80 | 7.00 |
2-butanol | 7.72 | 2.79 | 7.09 |
2-methyl-2-propanol | 7.40 | 2.50 | 7.20 |
phenol | 8.80 | 2.88 | 7.28 |
butanol | 7.82 | 2.79 | 7.72 |
2-methyl-1-propanol | 7.38 | 2.79 | 7.82 |
2-propanol | 7.72 | 2.98 | 8.02 |
2-methoxyethanol | 7.90 | 4.50 | 8.02 |
formic acid | 6.99 | 5.82 | 8.12 |
2-propen-1-ol | 7.92 | 5.28 | 8.21 |
1,2-diaminoethane | 8.12 | 4.30 | 8.31 |
4-(hydroxymethyl)-1,3-dioxolan-2-one | 8.80 | 12.50 | 8.50 |
propanol | 7.75 | 3.32 | 8.51 |
4-oxa-2,6-heptandiol | 7.77 | 9.90 | 9.00 |
triethylene glycol | 7.82 | 6.11 | 9.09 |
formamide | 8.41 | 12.81 | 9.29 |
ethanol | 7.73 | 4.30 | 9.48 |
diethylene glycol | 7.86 | 7.19 | 10.02 |
1,3-dihydroxybenzene | 8.80 | 4.11 | 10.32 |
2-aminoethanol | 8.41 | 7.63 | 10.41 |
1,3-butanediol | 8.10 | 4.90 | 10.50 |
methanol | 7.42 | 6.01 | 10.90 |
1,2-propanediol | 8.24 | 4.60 | 11.39 |
ethanediol | 8.25 | 5.38 | 12.71 |
1,2,3-propanetriol | 8.46 | 5.92 | 14.32 |
water | 7.63 | 7.82 | 20.68 |