Chemical Properties of 3-Cyclopentylpropionic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C13H24O2/c1-10(2)11(3)15-13(14)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3

InChI Key

ZRWUBMFLUXDWDE-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CC(C)C(C)OC(=O)CCC1CCCC1

Molecular Weight¹

212.33

• 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).
• 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, 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	[263.74; 682.49]	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			-4.73680e+01
Coefficient B			1.32756e+00
Coefficient C			-7.22600e-04
Coefficient D			1.24900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.74	J/mol×K	273.00	Calculated Property
Cp,gas	337.38	J/mol×K	353.78	Calculated Property
Cp,gas	403.33	J/mol×K	434.56	Calculated Property
Cp,gas	461.96	J/mol×K	515.33	Calculated Property
Cp,gas	513.69	J/mol×K	596.11	Calculated Property
Cp,gas	558.90	J/mol×K	676.89	Calculated Property
Cp,gas	597.99	J/mol×K	757.67	Calculated Property
Cp,gas	631.36	J/mol×K	838.44	Calculated Property
Cp,gas	659.39	J/mol×K	919.22	Calculated Property
Cp,gas	682.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0103732; 0.0002328]	Pa×s	[259.50; 535.77]	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			-1.19318e+01
Coefficient B			1.91078e+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.			259.50
Temperature range, max.			535.77
η	0.0103732	Pa×s	259.50	Calculated Property
η	0.0047605	Pa×s	290.20	Calculated Property
η	0.0025358	Pa×s	320.89	Calculated Property
η	0.0015077	Pa×s	351.59	Calculated Property
η	0.0009746	Pa×s	382.28	Calculated Property
η	0.0006721	Pa×s	412.98	Calculated Property
η	0.0004880	Pa×s	443.68	Calculated Property
η	0.0003693	Pa×s	474.37	Calculated Property
η	0.0002891	Pa×s	505.07	Calculated Property
η	0.0002328	Pa×s	535.77	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 3-methylbut-2-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

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