Chemical Properties of Cyclohexanecarboxylic acid, 1-butyl-, methyl ester (CAS 7362-81-4)

Cyclohexanecarboxylic acid, 1-butyl-, methyl ester

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InChI
InChI=1S/C12H22O2/c1-3-4-8-12(11(13)14-2)9-6-5-7-10-12/h3-10H2,1-2H3
InChI Key
HFYNTJSQXRBKTO-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
CCCCC1(C(=O)OC)CCCCC1
Molecular Weight1
198.30
CAS
7362-81-4
Other Names
  • 1-Butylcyclohexanecarboxylic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -164.80 kJ/mol Joback Calculated Property
Δfgas -466.25 kJ/mol Joback Calculated Property
Δfus 15.16 kJ/mol Joback Calculated Property
Δvap 50.74 kJ/mol Joback Calculated Property
logPoct/wat 3.30 Crippen Calculated Property
Pc 2324.78 kPa Joback Calculated Property
Tboil 570.04 K Joback Calculated Property
Tc 777.13 K Joback Calculated Property
Tfus 328.44 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 453.18 J/mol×K 570.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
-CH2- 3
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 5

Similar Compounds

Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. Heptanoic acid, 2-ethyl-2-methyl, methyl ester. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester. cis-1-carbomethoxy-1,4-dimethylcyclohexane. trans-carbomethoxy-1,4-dimethylcyclohexane. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Hexanoic acid, 2-ethyl-2-methyl, methyl ester. 1-Adamantanecarboxylic acid, methyl ester. 3-ethyladamantane-1-carboxylic acid, methyl ester. 3,5-dimethyladamantane-1-carboxylic acid, methyl ester. cis-1-carbomethoxy-1,3-dimethylcyclohexane. trans-carbomethoxy-1,3-dimethylcyclohexane. Cyclopentane-1-carboxylic acid, 1-ethyl, methyl ester.

Find more compounds similar to Cyclohexanecarboxylic acid, 1-butyl-, methyl ester.

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