Chemical Properties of Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester

Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester

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InChI
InChI=1S/C12H19NO2/c1-3-15-11(14)10(9-13)12(2)7-5-4-6-8-12/h10H,3-8H2,1-2H3
InChI Key
ROHCCJIABRKISQ-UHFFFAOYSA-N
Formula
C12H19NO2
SMILES
CCOC(=O)C(C#N)C1(C)CCCCC1
Molecular Weight1
209.28
Other Names
  • Acetic acid, 2-cyano-2-(1-methylcyclohexyl), ethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -34.06 kJ/mol Joback Calculated Property
Δfgas -306.65 kJ/mol Joback Calculated Property
Δfus 13.14 kJ/mol Joback Calculated Property
Δvap 60.83 kJ/mol Joback Calculated Property
logPoct/wat 2.66 Crippen Calculated Property
Pc 2287.14 kPa Joback Calculated Property
Tboil 671.68 K Joback Calculated Property
Tc 896.77 K Joback Calculated Property
Tfus 378.43 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 491.98 J/mol×K 671.68 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester. Alpha-cyano-2-norbornaneacetic acid, ethyl ester. 2-Ethoxycarbonyladamantane. trans-carbomethoxy-1,2-dimethylcyclohexane. cis-1-carbomethoxy-1,2-dimethylcyclohexane. 2-methyladamantane-1-carboxylic acid, methyl ester. 22S-epi-28-Norhopanoic acid methyl ester. 22R-epi-28-Norhopanoic acid methyl ester. 22R-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. Bicyclo[3.3.0]octane-1-carboxylic acid, methyl ester. 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-. Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate. dl-Camphoric anhydride. Adamantane-1-carboxylic acid, propyl ester.

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