Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C15H18O2/c1-11(2)8-9-17-15(16)14-10-13(14)12-6-4-3-5-7-12/h3-8,13-14H,9-10H2,1-2H3

InChI Key

HSALSWZNXPWFEA-UHFFFAOYSA-N

Formula

C15H18O2

SMILES

CC(C)=CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

230.30

• 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).
• I_np : Non-polar retention indices.
• 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	[247.74; 638.32]	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			-7.74190e+01
Coefficient B			1.43944e+00
Coefficient C			-9.79700e-04
Coefficient D			2.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.74	J/mol×K	273.00	Calculated Property
Cp,gas	320.54	J/mol×K	353.78	Calculated Property
Cp,gas	384.10	J/mol×K	434.56	Calculated Property
Cp,gas	439.23	J/mol×K	515.33	Calculated Property
Cp,gas	486.74	J/mol×K	596.11	Calculated Property
Cp,gas	527.44	J/mol×K	676.89	Calculated Property
Cp,gas	562.14	J/mol×K	757.67	Calculated Property
Cp,gas	591.64	J/mol×K	838.44	Calculated Property
Cp,gas	616.77	J/mol×K	919.22	Calculated Property
Cp,gas	638.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylbut-2-en-1-yl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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