Chemical Properties of Alpha-cyano-2-norbornaneacetic acid, ethyl ester (CAS 71172-71-9)

Alpha-cyano-2-norbornaneacetic acid, ethyl ester

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InChI
InChI=1S/C12H17NO2/c1-2-15-12(14)11(7-13)10-6-8-3-4-9(10)5-8/h8-11H,2-6H2,1H3
InChI Key
XQMXGJZFEYPEDM-UHFFFAOYSA-N
Formula
C12H17NO2
SMILES
CCOC(=O)C(C#N)C1CC2CCC1C2
Molecular Weight1
207.27
CAS
71172-71-9
Sources

Physical Properties

Property Value Unit Source
Δf 48.67 kJ/mol Joback Calculated Property
Δfgas -257.11 kJ/mol Joback Calculated Property
Δfus 22.85 kJ/mol Joback Calculated Property
Δvap 61.24 kJ/mol Joback Calculated Property
logPoct/wat 2.13 Crippen Calculated Property
Pc 2291.52 kPa Joback Calculated Property
Tboil 664.97 K Joback Calculated Property
Tc 882.80 K Joback Calculated Property
Tfus 375.27 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 478.72 J/mol×K 664.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-CH3 1
>CH- 1
-CH2- 1
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester. Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester. Iridomyrmecin. 22S-epi-28-Norhopanoic acid methyl ester. 22R-epi-28-Norhopanoic acid methyl ester. 2-Ethoxycarbonyladamantane. Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-. 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. 22R-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. 1-.alpha.,2-.alpha.,5-.alpha.-Nepetonic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. 1,2,3,6-tetrahydromethyl-3,6-methanophthalic anhydride.

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