Chemical Properties of Cyclohexanecarboxylic acid, 1-propyl-, methyl ester (CAS 4630-86-8)

Cyclohexanecarboxylic acid, 1-propyl-, methyl ester

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InChI
InChI=1S/C11H20O2/c1-3-7-11(10(12)13-2)8-5-4-6-9-11/h3-9H2,1-2H3
InChI Key
KWFNANKQDJOTPK-UHFFFAOYSA-N
Formula
C11H20O2
SMILES
CCCC1(C(=O)OC)CCCCC1
Molecular Weight1
184.28
CAS
4630-86-8
Other Names
  • Methyl 1-propyl-1-cyclohexanecarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf -173.22 kJ/mol Joback Calculated Property
Δfgas -445.61 kJ/mol Joback Calculated Property
Δfus 12.57 kJ/mol Joback Calculated Property
Δvap 48.51 kJ/mol Joback Calculated Property
logPoct/wat 2.91 Crippen Calculated Property
Pc 2555.92 kPa Joback Calculated Property
Tboil 547.16 K Joback Calculated Property
Tc 757.58 K Joback Calculated Property
Tfus 317.17 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 403.30 J/mol×K 547.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Cyclohexanecarboxylic acid, 1-butyl-, 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-propyl-, methyl ester.

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