Chemical Properties of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester (CAS 4630-81-3)

Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester

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InChI
InChI=1S/C10H18O2/c1-3-10(9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3
InChI Key
JPAPFFYGFBXJAK-UHFFFAOYSA-N
Formula
C10H18O2
SMILES
CCC1(C(=O)OC)CCCCC1
Molecular Weight1
170.25
CAS
4630-81-3
Other Names
  • Methyl 1-ethyl-1-cyclohexanecarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf -181.64 kJ/mol Joback Calculated Property
Δfgas -424.97 kJ/mol Joback Calculated Property
Δfus 9.98 kJ/mol Joback Calculated Property
Δvap 46.29 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 2823.32 kPa Joback Calculated Property
Tboil 524.28 K Joback Calculated Property
Tc 738.14 K Joback Calculated Property
Tfus 305.90 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 355.04 J/mol×K 524.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanecarboxylic acid, 1-propyl-, 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.

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