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 |
|---|
| (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate | 7.38 | 2.98 | 4.79 |
| (Z)-octadec-9-enoic acid | 6.99 | 1.52 | 6.99 |
| 1,1,1-trichloroethane | 8.25 | 2.10 | 1.00 |
| 1,1,2-trichloro-1,2,2-trifluoroethane | 7.19 | 0.78 | 0.00 |
| 1,1-dichloroethane | 8.12 | 4.01 | 0.20 |
| 1,1-dichloroethene | 8.31 | 3.32 | 2.20 |
| 1,2,3-propanetriol | 8.46 | 5.92 | 14.32 |
| 1,2-diacetoxyethane | 7.90 | 2.30 | 4.80 |
| 1,2-diaminoethane | 8.12 | 4.30 | 8.31 |
| 1,2-dichlorobenzene | 9.39 | 3.08 | 1.61 |
| 1,2-dichloroethane | 9.29 | 3.62 | 2.00 |
| 1,2-dimethylbenzene | 8.70 | 0.49 | 1.52 |
| 1,2-propanediol | 8.24 | 4.60 | 11.39 |
| 1,3-butanediol | 8.10 | 4.90 | 10.50 |
| 1,3-dihydroxybenzene | 8.80 | 4.11 | 10.32 |
| 1,3-dimethylbenzene | 8.65 | 0.50 | 1.50 |
| 1,3-dioxolan-2-one | 9.48 | 10.61 | 2.49 |
| 1,3-dioxolane | 8.80 | 3.20 | 4.50 |
| 1,4-diethylbenzene | 8.80 | 0.00 | 0.29 |
| 1,4-dimethylbenzene | 8.60 | 0.50 | 1.52 |
| 1-bromonaphthalene | 9.94 | 1.50 | 2.00 |
| 1-butoxypropan-2-ol | 7.50 | 2.20 | 4.50 |
| 1-chlorobutane | 7.95 | 2.70 | 1.00 |
| 1-ethoxypropan-2-yl acetate | 7.60 | 3.10 | 3.80 |
| 1-methoxy-2-propanol | 7.58 | 3.08 | 5.72 |
| 1-methoxypropan-2-yl acetate | 7.58 | 2.69 | 4.79 |
| 1-methylpropyl acetate | 7.33 | 1.80 | 3.71 |
| 1-nitropropane | 8.10 | 6.00 | 2.70 |
| 1-phenoxy-2-propanol | 8.50 | 2.59 | 5.62 |
| 2,2,4-trimethylpentane | 6.99 | 0.00 | 0.00 |
| 2,6-dimethyl-4-heptanone | 7.82 | 1.81 | 2.00 |
| 2-(2-butoxyethoxy)ethanol | 7.82 | 3.42 | 5.18 |
| 2-(2-butoxyethoxy)ethyl acetate | 7.82 | 2.00 | 4.01 |
| 2-(2-butoxypropoxy)propan-1-ol | 7.70 | 3.20 | 4.90 |
| 2-(2-ethoxyethoxy)ethanol | 7.92 | 4.50 | 6.01 |
| 2-(2-ethoxyethoxy)ethyl acetate | 7.92 | 2.49 | 4.50 |
| 2-(2-ethylhexoxy)ethanol | 7.82 | 2.00 | 2.49 |
| 2-(2-methoxyethoxy)ethanol | 7.92 | 3.81 | 6.21 |
| 2-(2-methoxypropoxy)propan-1-ol | 7.60 | 2.80 | 5.50 |
| 2-(2-propoxyethoxy)ethanol | 7.82 | 3.52 | 5.52 |
| 2-aminoethanol | 8.41 | 7.63 | 10.41 |
| 2-butanol | 7.72 | 2.79 | 7.09 |
| 2-butanone | 7.82 | 4.40 | 2.49 |
| 2-butoxyethanol | 7.76 | 2.49 | 6.01 |
| 2-butoxyethyl acetate | 7.48 | 2.20 | 4.30 |
| 2-ethoxyethanol | 7.92 | 4.50 | 6.99 |
| 2-ethoxyethyl acetate | 7.78 | 2.30 | 5.18 |
| 2-ethyl-1-butanol | 7.70 | 2.10 | 6.60 |
| 2-ethylhexanol | 7.82 | 1.61 | 5.82 |
| 2-ethylhexyl acetate | 7.70 | 1.40 | 2.50 |
| 2-heptanone | 7.92 | 2.79 | 2.00 |
| 2-hexyloxyethanol | 7.92 | 2.69 | 4.40 |
| 2-methoxyethanol | 7.90 | 4.50 | 8.02 |
| 2-methyl-1-propanol | 7.38 | 2.79 | 7.82 |
| 2-methyl-2-propanol | 7.40 | 2.50 | 7.20 |
| 2-methylpentyl acetate | 7.38 | 1.52 | 3.32 |
| 2-methylpropyl 2-methylpropanoate | 7.38 | 1.42 | 2.88 |
| 2-methylpropyl acetate | 7.38 | 1.81 | 3.08 |
| 2-nitropropane | 7.92 | 5.92 | 2.00 |
| 2-pentanone | 7.82 | 3.72 | 2.30 |
| 2-phenoxyethanol | 8.70 | 2.80 | 7.00 |
| 2-propanol | 7.72 | 2.98 | 8.02 |
| 2-propanone | 7.58 | 5.08 | 3.42 |
| 2-propen-1-ol | 7.92 | 5.28 | 8.21 |
| 2-propoxyethanol | 7.92 | 4.20 | 6.60 |
| 3,5,5-trimethyl-2-cyclohexen-1-one | 8.12 | 4.01 | 3.62 |
| 3-methyl-1-butanol | 7.70 | 2.50 | 6.50 |
| 3-methylbutyl acetate | 7.48 | 1.52 | 3.42 |
| 3-methylphenol | 8.82 | 2.49 | 6.31 |
| 3-pentanone | 7.72 | 3.72 | 2.30 |
| 4-(hydroxymethyl)-1,3-dioxolan-2-one | 8.80 | 12.50 | 8.50 |
| 4-chlorotrifluoromethylbenzene | 8.80 | 2.88 | 1.91 |
| 4-hydroxy-4-methylpentan-2-one | 7.65 | 4.01 | 5.28 |
| 4-methyl-2-oxo-1,3-dioxolane | 9.78 | 8.80 | 2.00 |
| 4-methyl-2-pentanol | 7.47 | 1.61 | 6.01 |
| 4-methyl-2-pentanone | 7.48 | 2.98 | 2.00 |
| 4-methyl-3-penten-2-one | 7.97 | 3.50 | 3.00 |
| 4-oxa-2,6-heptandiol | 7.77 | 9.90 | 9.00 |
| 5-methyl-2-hexanone | 7.82 | 2.79 | 2.00 |
| acetic acid | 7.09 | 3.91 | 6.60 |
| acetic anhydride | 7.50 | 5.40 | 4.70 |
| acetonitrile | 7.50 | 8.80 | 2.98 |
| acetophenone | 9.58 | 4.20 | 1.81 |
| aniline | 9.48 | 2.49 | 4.89 |
| benzaldehyde | 9.15 | 4.20 | 2.60 |
| benzene | 9.00 | 0.00 | 0.98 |
| benzoic acid | 8.90 | 3.42 | 4.79 |
| benzyl alcohol | 9.00 | 3.08 | 6.70 |
| benzyl benzoate | 9.80 | 2.50 | 2.50 |
| benzyl butyl phthalate | 9.30 | 5.50 | 1.50 |
| bis(2-chloroethyl) ether | 9.20 | 4.40 | 1.50 |
| butane | 6.89 | 0.00 | 0.00 |
| butanenitrile | 7.50 | 6.10 | 2.50 |
| butanoic acid | 7.30 | 2.00 | 5.20 |
| butanol | 7.81 | 2.79 | 7.72 |
| butyl acetate | 7.72 | 1.81 | 3.08 |
| butyl benzoate | 8.90 | 2.70 | 2.70 |
| butyl lactate | 7.65 | 3.20 | 5.00 |
| butyl propanoate | 7.48 | 1.61 | 3.32 |
| carbon disulfide | 10.02 | 0.00 | 0.29 |
| chlorobenzene | 9.28 | 2.10 | 1.00 |
| chlorocyclohexane | 8.50 | 2.70 | 1.00 |
| chloromethane | 7.48 | 2.98 | 1.91 |
| cis-decalin | 8.80 | 0.00 | 0.00 |
| cyclohexanamine | 8.51 | 1.52 | 3.23 |
| cyclohexane | 8.21 | 0.00 | 0.10 |
| cyclohexanol | 8.50 | 2.00 | 6.60 |
| cyclohexanone | 8.70 | 3.08 | 2.49 |
| d-limonene | 8.40 | 0.90 | 2.10 |
| decanol | 8.60 | 1.32 | 4.89 |
| dibenzyl ether | 8.51 | 1.81 | 3.62 |
| dibutyl (2Z)-2-butenedioate | 7.50 | 1.50 | 3.50 |
| dibutyl ether | 7.04 | 1.42 | 2.49 |
| dibutyl phthalate | 8.20 | 4.20 | 2.00 |
| dichloromethane | 8.90 | 3.08 | 2.98 |
| diethyl carbonate | 8.12 | 1.52 | 2.98 |
| diethyl ether | 7.09 | 1.42 | 2.49 |
| diethyl sulfide | 8.25 | 1.50 | 1.00 |
| diethyl sulphate | 7.72 | 7.19 | 3.52 |
| diethylamine | 7.30 | 1.10 | 3.00 |
| diethylene glycol | 7.86 | 7.19 | 10.02 |
| diisopropyl ether | 7.40 | 1.60 | 1.60 |
| dimethoxymethane | 7.35 | 0.90 | 4.20 |
| dimethyl carbonate | 8.51 | 4.69 | 1.91 |
| dimethyl hexanedioate | 8.26 | 2.10 | 4.50 |
| dimethyl phthalate | 9.09 | 5.28 | 2.40 |
| dimethyl sulfoxide | 9.00 | 8.02 | 4.99 |
| dioxane | 9.30 | 0.88 | 3.62 |
| dipropylamine | 7.50 | 0.70 | 2.00 |
| dodecane | 7.82 | 0.00 | 0.00 |
| ethanediol | 8.25 | 5.38 | 12.71 |
| ethanethiol | 7.72 | 3.23 | 3.52 |
| ethanol | 7.73 | 4.30 | 9.48 |
| ethyl 2-hydroxypropanoate | 7.80 | 3.72 | 6.11 |
| ethyl 3-ethoxypropanoate | 7.92 | 1.61 | 4.30 |
| ethyl acetate | 7.72 | 2.59 | 3.52 |
| ethyl formate | 7.58 | 3.52 | 3.72 |
| ethylbenzene | 8.70 | 0.29 | 0.68 |
| formamide | 8.41 | 12.81 | 9.29 |
| formic acid | 7.00 | 5.82 | 8.12 |
| furan | 8.70 | 0.90 | 2.60 |
| heptane | 7.48 | 0.00 | 0.00 |
| hexane | 7.28 | 0.00 | 0.00 |
| hexyl acetate | 7.82 | 1.42 | 3.00 |
| isopropyl acetate | 7.28 | 2.20 | 4.01 |
| methanol | 7.42 | 6.01 | 10.90 |
| methyl (Z)-9-octadecenoate | 7.90 | 1.90 | 2.20 |
| methyl 2-hydroxybenzoate | 7.82 | 3.91 | 6.01 |
| methyl acetate | 7.58 | 3.52 | 3.72 |
| methylcyclohexane | 7.82 | 0.00 | 0.00 |
| morpholine | 9.19 | 2.40 | 4.50 |
| N,N-dimethylacetamide | 8.20 | 5.62 | 4.99 |
| N,N-dimethylformamide | 8.51 | 6.70 | 5.52 |
| N-methylpyrrolidone | 8.80 | 6.01 | 3.52 |
| naphthalene | 9.39 | 0.98 | 2.88 |
| nitrobenzene | 9.78 | 4.20 | 2.00 |
| nitroethane | 7.82 | 7.58 | 2.20 |
| nitromethane | 7.72 | 9.19 | 2.49 |
| nonane | 7.68 | 0.00 | 0.00 |
| octadecanoic acid | 8.02 | 1.61 | 2.69 |
| octane | 7.58 | 0.00 | 0.00 |
| oxepan-2-one | 9.60 | 7.30 | 3.60 |
| oxolan-2-one | 9.29 | 8.12 | 3.62 |
| pentane | 7.09 | 0.00 | 0.00 |
| pentanol | 7.82 | 2.20 | 6.80 |
| pentyl acetate | 7.72 | 1.91 | 3.32 |
| pentyl propanoate | 7.58 | 1.42 | 3.18 |
| phenol | 8.80 | 2.88 | 7.28 |
| propanol | 7.75 | 3.32 | 8.51 |
| propyl acetate | 7.48 | 2.10 | 3.72 |
| propyl propanoate | 7.58 | 1.81 | 3.62 |
| pyridine | 9.29 | 4.30 | 2.88 |
| quinoline | 9.48 | 3.42 | 3.72 |
| styrene | 9.09 | 0.49 | 2.00 |
| sulfolane | 8.80 | 8.80 | 4.80 |
| tert-butyl acetate | 6.99 | 1.71 | 2.88 |
| tetrachloroethene | 8.95 | 2.79 | 0.00 |
| tetrachloromethane | 8.70 | 0.00 | 0.29 |
| tetrahydrofuran | 8.21 | 2.79 | 3.91 |
| tetrahydrofurfuryl alcohol | 8.70 | 4.00 | 6.30 |
| tetrahydronaphthalene | 9.58 | 0.98 | 1.42 |
| thiolane-1-oxide | 8.90 | 5.38 | 4.45 |
| toluene | 8.80 | 0.68 | 0.98 |
| trichloroethene | 8.80 | 1.52 | 2.59 |
| trichloromethane | 8.70 | 1.52 | 2.79 |
| triethylene glycol | 7.82 | 6.11 | 9.09 |
| trioctyl phosphate | 8.00 | 1.00 | 2.50 |
| water | 7.63 | 7.82 | 20.68 |
