Chemical Properties of Ethyl 2-cyano-3-phenyl delta^2-pentenoate (CAS 14442-48-9)

Ethyl 2-cyano-3-phenyl delta^2-pentenoate

InChI
InChI=1S/C14H15NO2/c1-3-12(11-8-6-5-7-9-11)13(10-15)14(16)17-4-2/h5-9H,3-4H2,1-2H3/b13-12-
InChI Key
LYBDDDYNWSIADW-SEYXRHQNSA-N
Formula
C14H15NO2
SMILES
CCOC(=O)C(C#N)=C(CC)c1ccccc1
Molecular Weight1
229.27
CAS
14442-48-9
Other Names
  • Ethyl 2-cyano-3-phenyl delta
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Physical Properties

Property Value Unit Source
ω 0.6000 Relay (1.0) Calculated Property
ΔfH°gas -132.98 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.51 kJ/mol Joback Calculated Property
ΔvapH° 83.27 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -3.83 Relay (1.0) Calculated Property
logPoct/wat 2.937 Crippen Calculated Property
McVol 188.880 ml/mol McGowan Calculated Property
Pc 2086.93 kPa Joback Calculated Property
Tboil 595.91 K Relay (1.0) Calculated Property
Tc 805.56 K Relay (1.0) Calculated Property
Tfus 339.90 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [496.68; 563.06] J/mol×K [710.82; 936.33] Show Hide
Cp,gas 496.68 J/mol×K 710.82 Joback Calculated Property
Cp,gas 510.06 J/mol×K 748.40 Joback Calculated Property
Cp,gas 522.44 J/mol×K 785.99 Joback Calculated Property
Cp,gas 533.88 J/mol×K 823.57 Joback Calculated Property
Cp,gas 544.43 J/mol×K 861.16 Joback Calculated Property
Cp,gas 554.14 J/mol×K 898.74 Joback Calculated Property
Cp,gas 563.06 J/mol×K 936.33 Joback Calculated Property

Similar Compounds

11B-Hydroxyoestrone (enol), TMS. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. DILTIAZEM, M(DESAMINO-HO-), AC. 6-Dehydroestradiol, TMS. Estra-1,3,5(10),6-tetraene-3,17beta-diol. 4-Piperidyl cyclohexylphenylglycolate. Doronenine. Cinchonine. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. Cinchonidine. Estrone, VDMS. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. 4-Piperidyl cyclopentylphenylglycolate. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]. «delta»1-tetrahydrocannabinolic acid, TMS.

Find more compounds similar to Ethyl 2-cyano-3-phenyl delta^2-pentenoate.

Sources

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