Chemical Properties of Cyclopentanecarboxylic acid, 2-methylphenyl ester

InChI

InChI=1S/C13H16O2/c1-10-6-2-5-9-12(10)15-13(14)11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3

InChI Key

UGVXBKWUWXZBOP-UHFFFAOYSA-N

Formula

C13H16O2

SMILES

Cc1ccccc1OC(=O)C1CCCC1

Molecular Weight¹

204.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[209.67; 559.85]	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			-6.36100e+01
Coefficient B			1.17732e+00
Coefficient C			-6.80360e-04
Coefficient D			1.26500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.67	J/mol×K	273.00	Calculated Property
Cp,gas	273.35	J/mol×K	353.78	Calculated Property
Cp,gas	329.90	J/mol×K	434.56	Calculated Property
Cp,gas	379.73	J/mol×K	515.33	Calculated Property
Cp,gas	423.23	J/mol×K	596.11	Calculated Property
Cp,gas	460.81	J/mol×K	676.89	Calculated Property
Cp,gas	492.86	J/mol×K	757.67	Calculated Property
Cp,gas	519.78	J/mol×K	838.44	Calculated Property
Cp,gas	541.98	J/mol×K	919.22	Calculated Property
Cp,gas	559.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025814; 0.0002302]	Pa×s	[328.44; 583.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14926e+01
Coefficient B			1.81730e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			328.44
Temperature range, max.			583.25
η	0.0025814	Pa×s	328.44	Calculated Property
η	0.0016640	Pa×s	356.75	Calculated Property
η	0.0011441	Pa×s	385.06	Calculated Property
η	0.0008281	Pa×s	413.38	Calculated Property
η	0.0006248	Pa×s	441.69	Calculated Property
η	0.0004876	Pa×s	470.00	Calculated Property
η	0.0003914	Pa×s	498.31	Calculated Property
η	0.0003218	Pa×s	526.63	Calculated Property
η	0.0002698	Pa×s	554.94	Calculated Property
η	0.0002302	Pa×s	583.25	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 2-methylphenyl 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

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