Chemical Properties of 3-Cyclopentylpropionic acid, 2-methylpentyl ester

InChI

InChI=1S/C14H26O2/c1-3-6-12(2)11-16-14(15)10-9-13-7-4-5-8-13/h12-13H,3-11H2,1-2H3

InChI Key

MGFKGBKGQDWMBS-UHFFFAOYSA-N

Formula

C14H26O2

SMILES

CCCC(C)COC(=O)CCC1CCCC1

Molecular Weight¹

226.35

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[285.27; 733.54]	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			-4.65950e+01
Coefficient B			1.41664e+00
Coefficient C			-7.73800e-04
Coefficient D			1.37300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.27	J/mol×K	273.00	Calculated Property
Cp,gas	363.81	J/mol×K	353.78	Calculated Property
Cp,gas	434.16	J/mol×K	434.56	Calculated Property
Cp,gas	496.74	J/mol×K	515.33	Calculated Property
Cp,gas	552.00	J/mol×K	596.11	Calculated Property
Cp,gas	600.36	J/mol×K	676.89	Calculated Property
Cp,gas	642.26	J/mol×K	757.67	Calculated Property
Cp,gas	678.13	J/mol×K	838.44	Calculated Property
Cp,gas	708.42	J/mol×K	919.22	Calculated Property
Cp,gas	733.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064138; 0.0002383]	Pa×s	[285.77; 547.82]	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			-1.19329e+01
Coefficient B			1.96712e+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.			285.77
Temperature range, max.			547.82
η	0.0064138	Pa×s	285.77	Calculated Property
η	0.0033938	Pa×s	314.89	Calculated Property
η	0.0020001	Pa×s	344.00	Calculated Property
η	0.0012802	Pa×s	373.12	Calculated Property
η	0.0008740	Pa×s	402.24	Calculated Property
η	0.0006283	Pa×s	431.35	Calculated Property
η	0.0004709	Pa×s	460.47	Calculated Property
η	0.0003652	Pa×s	489.58	Calculated Property
η	0.0002915	Pa×s	518.70	Calculated Property
η	0.0002383	Pa×s	547.82	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 2-methylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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