Chemical Properties of Methyl 7-phenylnorcaradiene-7-carboxylate

InChI

InChI=1S/C15H14O2/c1-17-14(16)15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-10,12-13H,1H3

InChI Key

ZVIBIYYBAMLLDF-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

COC(=O)C1(c2ccccc2)C2C=CC=CC21

Molecular Weight¹

226.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[216.38; 595.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.53340e+02
Coefficient B			1.74072e+00
Coefficient C			-1.57456e-03
Coefficient D			5.82600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.38	J/mol×K	273.00	Calculated Property
Cp,gas	291.21	J/mol×K	353.78	Calculated Property
Cp,gas	353.57	J/mol×K	434.56	Calculated Property
Cp,gas	405.29	J/mol×K	515.33	Calculated Property
Cp,gas	448.22	J/mol×K	596.11	Calculated Property
Cp,gas	484.19	J/mol×K	676.89	Calculated Property
Cp,gas	515.05	J/mol×K	757.67	Calculated Property
Cp,gas	542.65	J/mol×K	838.44	Calculated Property
Cp,gas	568.83	J/mol×K	919.22	Calculated Property
Cp,gas	595.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 7-phenylnorcaradiene-7-carboxylate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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