Chemical Properties of 2-Methylvaleric acid, cyclohexylmethyl ester

InChI

InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3

InChI Key

PGJSABZOWJTODI-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CCCC(C)C(=O)OCC1CCCCC1

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	[259.16; 683.73]	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			-5.08070e+01
Coefficient B			1.31204e+00
Coefficient C			-6.73000e-04
Coefficient D			9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.16	J/mol×K	273.00	Calculated Property
Cp,gas	333.36	J/mol×K	353.78	Calculated Property
Cp,gas	400.10	J/mol×K	434.56	Calculated Property
Cp,gas	459.67	J/mol×K	515.33	Calculated Property
Cp,gas	512.39	J/mol×K	596.11	Calculated Property
Cp,gas	558.56	J/mol×K	676.89	Calculated Property
Cp,gas	598.48	J/mol×K	757.67	Calculated Property
Cp,gas	632.44	J/mol×K	838.44	Calculated Property
Cp,gas	660.76	J/mol×K	919.22	Calculated Property
Cp,gas	683.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0091168; 0.0001957]	Pa×s	[270.98; 540.82]	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			-1.23968e+01
Coefficient B			2.08633e+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.			270.98
Temperature range, max.			540.82
η	0.0091168	Pa×s	270.98	Calculated Property
η	0.0042338	Pa×s	300.96	Calculated Property
η	0.0022593	Pa×s	330.95	Calculated Property
η	0.0013383	Pa×s	360.93	Calculated Property
η	0.0008590	Pa×s	390.91	Calculated Property
η	0.0005873	Pa×s	420.89	Calculated Property
η	0.0004224	Pa×s	450.88	Calculated Property
η	0.0003165	Pa×s	480.86	Calculated Property
η	0.0002454	Pa×s	510.84	Calculated Property
η	0.0001957	Pa×s	540.82	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylvaleric acid, cyclohexylmethyl 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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