Chemical Properties of Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester

Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C9H16O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-7H2,1-2H3
InChI Key
NKZISBBWNQEPAH-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
COC(=O)C1(C)CCCCC1
Molecular Weight1
156.22
Sources

Physical Properties

Property Value Unit Source
Δf -190.06 kJ/mol Joback Calculated Property
Δfgas -404.33 kJ/mol Joback Calculated Property
Δfus 7.39 kJ/mol Joback Calculated Property
Δvap 44.06 kJ/mol Joback Calculated Property
logPoct/wat 2.13 Crippen Calculated Property
Pc 3135.00 kPa Joback Calculated Property
Tboil 501.40 K Joback Calculated Property
Tc 718.78 K Joback Calculated Property
Tfus 294.63 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 308.50 J/mol×K 501.4 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Heptanoic acid, 2-ethyl-2-methyl, methyl ester. cis-1-carbomethoxy-1,4-dimethylcyclohexane. trans-carbomethoxy-1,4-dimethylcyclohexane. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester. Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Cyclohexanecarboxylic acid, 1-butyl-, methyl ester. Hexanoic acid, 2-ethyl-2-methyl, methyl ester. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. trans-carbomethoxy-1,3-dimethylcyclohexane. cis-1-carbomethoxy-1,3-dimethylcyclohexane. 1-Adamantanecarboxylic acid, methyl ester. Cyclopentane-1-carboxylic acid, 1-ethyl, methyl ester. Heptanoic acid, 2,2-dimethyl, methyl ester. Pentanoic acid, 2-methyl-2-propyl, methyl ester.

Find more compounds similar to Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.