Chemical Properties of Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester (CAS 52567-21-2)

Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester

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InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)13(8-16)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14H,2-7H2,1H3
InChI Key
NKQDZOMRNCAJHD-UHFFFAOYSA-N
Formula
C15H21NO2
SMILES
CCOC(=O)C(C#N)C1C2CC3CC(C2)CC1C3
Molecular Weight1
247.33
CAS
52567-21-2
Other Names
  • Adamantaneacetic acid, «delta»-[2(«alpha»)]-«alpha»-cyano-, ethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 126.97 kJ/mol Joback Calculated Property
Δfgas -266.57 kJ/mol Joback Calculated Property
Δfus 29.82 kJ/mol Joback Calculated Property
Δvap 67.52 kJ/mol Joback Calculated Property
logPoct/wat 2.76 Crippen Calculated Property
Pc 1923.67 kPa Joback Calculated Property
Tboil 735.68 K Joback Calculated Property
Tc 956.16 K Joback Calculated Property
Tfus 422.78 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 627.66 J/mol×K 735.68 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Alpha-cyano-2-norbornaneacetic acid, ethyl ester. Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester. 2-Ethoxycarbonyladamantane. Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester. Iridomyrmecin. Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-. 22S-epi-28-Norhopanoic acid methyl ester. 22R-epi-28-Norhopanoic acid methyl ester. 2-methyladamantane-1-carboxylic 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. 1-.alpha.,2-.alpha.,5-.alpha.-Nepetonic 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. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester.

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