Chemical Properties of Hexanoic acid, 2,2-dimethyl, methyl ester

Hexanoic acid, 2,2-dimethyl, methyl ester

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InChI
InChI=1S/C9H18O2/c1-5-6-7-9(2,3)8(10)11-4/h5-7H2,1-4H3
InChI Key
PWIVQUPZVUNZKX-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCCC(C)(C)C(=O)OC
Molecular Weight1
158.24
Sources

Physical Properties

Property Value Unit Source
Δf -206.18 kJ/mol Joback Calculated Property
Δfgas -482.64 kJ/mol Joback Calculated Property
Δfus 14.44 kJ/mol Joback Calculated Property
Δvap 43.49 kJ/mol Joback Calculated Property
logPoct/wat 2.38 Crippen Calculated Property
Pc 2458.04 kPa Joback Calculated Property
Tboil 478.38 K Joback Calculated Property
Tc 662.57 K Joback Calculated Property
Tfus 265.77 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 325.67 J/mol×K 478.38 Joback Calculated Property
η 0.00 Pa×s 478.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 3
>C=O (nonring) 1
>C< 1
-CH3 4

Similar Compounds

Heptanoic acid, 2,2-dimethyl, methyl ester. Octanoic acid, 2,2-dimethyl, methyl ester. Pentanoic acid, 2,2-dimethyl-, methyl ester. Hexanoic acid, 2-ethyl-2-methyl, methyl ester. Cyclopentanoic acid, 1-methyl, methyl ester. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester. Heptanoic acid, 2-ethyl-2-methyl, methyl ester. Methyl 2-methylhexanoate. cis-1-carbomethoxy-1,4-dimethylcyclohexane. trans-carbomethoxy-1,4-dimethylcyclohexane. Pentanoic acid, 2,2-dimethyl-, ethyl ester. methyl 2,5-dimethylhexanoate. Cyclohexanecarboxylic acid, 1-butyl-, methyl ester. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester.

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