Chemical Properties of Ethyl 2-cyano-3-phenyl pentanoate (CAS 20621-70-9)

Ethyl 2-cyano-3-phenyl pentanoate

InChI
InChI=1S/C14H17NO2/c1-3-12(11-8-6-5-7-9-11)13(10-15)14(16)17-4-2/h5-9,12-13H,3-4H2,1-2H3
InChI Key
AYJQJWSAESSXPI-UHFFFAOYSA-N
Formula
C14H17NO2
SMILES
CCOC(=O)C(C#N)C(CC)c1ccccc1
Molecular Weight1
231.29
CAS
20621-70-9
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Physical Properties

Property Value Unit Source
ω 0.5495 Relay (1.0) Calculated Property
ΔfH°gas -226.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.30 kJ/mol Joback Calculated Property
ΔvapH° 87.97 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -3.61 Relay (1.0) Calculated Property
logPoct/wat 2.883 Crippen Calculated Property
McVol 193.180 ml/mol McGowan Calculated Property
Pc 2077.43 kPa Joback Calculated Property
Tboil 574.11 K Relay (1.0) Calculated Property
Tc 798.39 K Relay (1.0) Calculated Property
Tfus 357.39 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [526.04; 595.53] J/mol×K [723.89; 944.25] Show Hide
Cp,gas 526.04 J/mol×K 723.89 Joback Calculated Property
Cp,gas 539.97 J/mol×K 760.62 Joback Calculated Property
Cp,gas 552.91 J/mol×K 797.34 Joback Calculated Property
Cp,gas 564.91 J/mol×K 834.07 Joback Calculated Property
Cp,gas 575.99 J/mol×K 870.80 Joback Calculated Property
Cp,gas 586.18 J/mol×K 907.52 Joback Calculated Property
Cp,gas 595.53 J/mol×K 944.25 Joback Calculated Property

Similar Compounds

Cyclopropane-1-carboxylic acid, 2-methoxymethyl-3-phenyl, ethyl ester. 3Beta-hydroxy-16,17-secoestra-5(10),6,8-trien-17-oic acid. 3'-(3-Methoxy-1,3,5(10)-estratrien-16beta-yl)propiono-1',17beta-lactone. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 17«alpha»-ethynylestradiol, 3-butyrate. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid. Atropine, picolinyloxydimethylsilyl ether. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester. 15(ksi)-Hydroxyoestriol, TMS.

Find more compounds similar to Ethyl 2-cyano-3-phenyl pentanoate.

Sources

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