Chemical Properties of 3-Cyclopentylpropionic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C14H26O3/c1-12(9-10-16-2)11-17-14(15)8-7-13-5-3-4-6-13/h12-13H,3-11H2,1-2H3

InChI Key

QBAANVKOMZFPGW-UHFFFAOYSA-N

Formula

C14H26O3

SMILES

COCCC(C)COC(=O)CCC1CCCC1

Molecular Weight¹

242.35

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[300.67; 752.05]	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			-2.10950e+01
Coefficient B			1.35344e+00
Coefficient C			-6.62800e-04
Coefficient D			8.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.67	J/mol×K	273.00	Calculated Property
Cp,gas	378.42	J/mol×K	353.78	Calculated Property
Cp,gas	448.66	J/mol×K	434.56	Calculated Property
Cp,gas	511.65	J/mol×K	515.33	Calculated Property
Cp,gas	567.66	J/mol×K	596.11	Calculated Property
Cp,gas	616.94	J/mol×K	676.89	Calculated Property
Cp,gas	659.76	J/mol×K	757.67	Calculated Property
Cp,gas	696.38	J/mol×K	838.44	Calculated Property
Cp,gas	727.05	J/mol×K	919.22	Calculated Property
Cp,gas	752.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042221; 0.0001960]	Pa×s	[308.00; 562.67]	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			-1.22506e+01
Coefficient B			2.08921e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.00
Temperature range, max.			562.67
η	0.0042221	Pa×s	308.00	Calculated Property
η	0.0023859	Pa×s	336.30	Calculated Property
η	0.0014732	Pa×s	364.59	Calculated Property
η	0.0009750	Pa×s	392.89	Calculated Property
η	0.0006821	Pa×s	421.19	Calculated Property
η	0.0004992	Pa×s	449.49	Calculated Property
η	0.0003790	Pa×s	477.78	Calculated Property
η	0.0002968	Pa×s	506.08	Calculated Property
η	0.0002385	Pa×s	534.38	Calculated Property
η	0.0001960	Pa×s	562.67	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 4-methoxy-2-methylbutyl 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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