Chemical Properties of 1,1-Ethanediol, diisobutyrate (CAS 116346-31-7)

1,1-Ethanediol, diisobutyrate

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InChI
InChI=1S/C10H18O4/c1-6(2)9(11)13-8(5)14-10(12)7(3)4/h6-8H,1-5H3
InChI Key
KQSKJYCVBSFALB-UHFFFAOYSA-N
Formula
C10H18O4
SMILES
CC(C)C(=O)OC(C)OC(=O)C(C)C
Molecular Weight1
202.25
CAS
116346-31-7
Sources

Physical Properties

Property Value Unit Source
Δf -441.84 kJ/mol Joback Calculated Property
Δfgas -755.17 kJ/mol Joback Calculated Property
Δfus 16.66 kJ/mol Joback Calculated Property
Δvap 55.00 kJ/mol Joback Calculated Property
logPoct/wat 1.73 Crippen Calculated Property
Pc 2351.92 kPa Joback Calculated Property
Tboil 579.46 K Joback Calculated Property
Tc 769.85 K Joback Calculated Property
Tfus 301.78 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 416.83 J/mol×K 579.46 Joback Calculated Property
η 0.00 Pa×s 579.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 3
>C=O (nonring) 2
-CH3 5

Similar Compounds

1,1-Diacetoxyethane. 2(3H)-Furanone, 5-ethoxydihydro-. 1,3-DIOXAN-4-ONE, 2-(1,1-DIMETHYLETHYL)-5-METHYL-, (2S-CIS)-. Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl-. 2-Propene-1,1-diol, diacetate. 1,3-Dioxane-4,6-dione, 2,2-dimethyl-. Succinic acid, isobutyl 1-tert-butoxyprop-2-yl ester. 2-Propene-1,1-diol, 2-methyl-, diacetate. Succinic acid, propyl 1-tert-butoxyprop-2-yl ester. Succinic acid, di(1-tert-butoxyprop-2-yl) ester. Succinic acid, ethyl 1-tert-butoxyprop-2-yl ester. Succinic acid, butyl 1-tert-butoxyprop-2-yl ester. Succinic acid, pentyl 1-tert-butoxyprop-2-yl ester. Succinic acid, hexyl 1-tert-butoxyprop-2-yl ester. Propanoic acid, 2-methyl-, ethyl ester.

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