Chemical Properties of Cyclopentanecarboxylic acid, phenyl ester (CAS 54758-32-6)

InChI

InChI=1S/C12H14O2/c13-12(10-6-4-5-7-10)14-11-8-2-1-3-9-11/h1-3,8-10H,4-7H2

InChI Key

NHASTOMELKHZLY-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

O=C(Oc1ccccc1)C1CCCC1

Molecular Weight¹

190.24

CAS

54758-32-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[185.90; 511.30]	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			-7.70000e+01
Coefficient B			1.14180e+00
Coefficient C			-6.93000e-04
Coefficient D			1.39500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.90	J/mol×K	273.00	Calculated Property
Cp,gas	246.39	J/mol×K	353.78	Calculated Property
Cp,gas	299.76	J/mol×K	434.56	Calculated Property
Cp,gas	346.46	J/mol×K	515.33	Calculated Property
Cp,gas	386.93	J/mol×K	596.11	Calculated Property
Cp,gas	421.62	J/mol×K	676.89	Calculated Property
Cp,gas	450.96	J/mol×K	757.67	Calculated Property
Cp,gas	475.39	J/mol×K	838.44	Calculated Property
Cp,gas	495.36	J/mol×K	919.22	Calculated Property
Cp,gas	511.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035731; 0.0002423]	Pa×s	[304.65; 566.30]	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			-1.14587e+01
Coefficient B			1.77440e+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.			304.65
Temperature range, max.			566.30
η	0.0035731	Pa×s	304.65	Calculated Property
η	0.0021513	Pa×s	333.72	Calculated Property
η	0.0014049	Pa×s	362.79	Calculated Property
η	0.0009774	Pa×s	391.87	Calculated Property
η	0.0007149	Pa×s	420.94	Calculated Property
η	0.0005445	Pa×s	450.01	Calculated Property
η	0.0004286	Pa×s	479.08	Calculated Property
η	0.0003468	Pa×s	508.15	Calculated Property
η	0.0002871	Pa×s	537.22	Calculated Property
η	0.0002423	Pa×s	566.30	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, phenyl 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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