Chemical Properties of 2,4,6-Cycloheptatriene-1-carboxylic acid, 1-phenyl-, methyl ester

2,4,6-Cycloheptatriene-1-carboxylic acid, 1-phenyl-, methyl ester

InChI
InChI=1S/C15H14O2/c1-17-14(16)15(11-7-2-3-8-12-15)13-9-5-4-6-10-13/h2-12H,1H3
InChI Key
FUHBRHWSRVQTRY-UHFFFAOYSA-N
Formula
C15H14O2
SMILES
COC(=O)C1(c2ccccc2)C=CC=CC=C1
Molecular Weight1
226.28
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Physical Properties

Property Value Unit Source
ΔfusH° 20.12 kJ/mol Joback Calculated Property
logPoct/wat 2.780 Crippen Calculated Property
McVol 182.130 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [216.41; 583.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.16620e+02
Coefficient B1.53152e+00
Coefficient C-1.25784e-03
Coefficient D4.26000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 216.41 J/mol×K 273.00 Calculated Property
Cp,gas 286.63 J/mol×K 353.78 Calculated Property
Cp,gas 346.34 J/mol×K 434.56 Calculated Property
Cp,gas 396.88 J/mol×K 515.33 Calculated Property
Cp,gas 439.60 J/mol×K 596.11 Calculated Property
Cp,gas 475.85 J/mol×K 676.89 Calculated Property
Cp,gas 506.97 J/mol×K 757.67 Calculated Property
Cp,gas 534.32 J/mol×K 838.44 Calculated Property
Cp,gas 559.23 J/mol×K 919.22 Calculated Property
Cp,gas 583.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Poligodial + Phe (methyl ester) adduct, (R). Poligodial + Phe (methyl ester) adduct, (S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Cytidine, dimethyl-TMS derivative. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + o-Tyr (ethyl ester) adduct (R,S). 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. 17A-11-Dehydroestradiol, TMS. 11-Dehydroestradiol, TMS. 11-Ketoestradiol (enol), TMS.

Find more compounds similar to 2,4,6-Cycloheptatriene-1-carboxylic acid, 1-phenyl-, methyl ester.

Sources

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