Chemical Properties of Cyclopentanecarboxylic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C14H18O2/c1-10-7-11(2)9-13(8-10)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3

InChI Key

OAWMOISULVJMCJ-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

Cc1cc(C)cc(OC(=O)C2CCCC2)c1

Molecular Weight¹

218.30

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[233.43; 608.40]	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			-5.02200e+01
Coefficient B			1.21284e+00
Coefficient C			-6.67720e-04
Coefficient D			1.13500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.43	J/mol×K	273.00	Calculated Property
Cp,gas	300.31	J/mol×K	353.78	Calculated Property
Cp,gas	360.05	J/mol×K	434.56	Calculated Property
Cp,gas	413.00	J/mol×K	515.33	Calculated Property
Cp,gas	459.54	J/mol×K	596.11	Calculated Property
Cp,gas	500.00	J/mol×K	676.89	Calculated Property
Cp,gas	534.76	J/mol×K	757.67	Calculated Property
Cp,gas	564.18	J/mol×K	838.44	Calculated Property
Cp,gas	588.60	J/mol×K	919.22	Calculated Property
Cp,gas	608.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019306; 0.0002177]	Pa×s	[352.23; 600.28]	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			-1.15311e+01
Coefficient B			1.86020e+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.			352.23
Temperature range, max.			600.28
η	0.0019306	Pa×s	352.23	Calculated Property
η	0.0013160	Pa×s	379.79	Calculated Property
η	0.0009447	Pa×s	407.35	Calculated Property
η	0.0007074	Pa×s	434.91	Calculated Property
η	0.0005482	Pa×s	462.48	Calculated Property
η	0.0004372	Pa×s	490.04	Calculated Property
η	0.0003572	Pa×s	517.60	Calculated Property
η	0.0002978	Pa×s	545.16	Calculated Property
η	0.0002527	Pa×s	572.72	Calculated Property
η	0.0002177	Pa×s	600.28	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 3,5-dimethylphenyl 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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