Chemical Properties of Menthyl valerate (CAS 64129-94-8)

InChI

InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3

InChI Key

LCJPVSLESAPYMK-UHFFFAOYSA-N

Formula

C15H28O2

SMILES

CCCCC(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

240.38

CAS

64129-94-8

Other Names

• [1R-(1«alpha»,2«beta»,5«alpha»)]-5-methyl-2-(1-methylethyl)cyclohexyl valerate

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, 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	[306.12; 800.23]	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			-4.07470e+01
Coefficient B			1.44908e+00
Coefficient C			-6.71000e-04
Coefficient D			6.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.12	J/mol×K	273.00	Calculated Property
Cp,gas	390.71	J/mol×K	353.78	Calculated Property
Cp,gas	467.41	J/mol×K	434.56	Calculated Property
Cp,gas	536.42	J/mol×K	515.33	Calculated Property
Cp,gas	597.95	J/mol×K	596.11	Calculated Property
Cp,gas	652.19	J/mol×K	676.89	Calculated Property
Cp,gas	699.34	J/mol×K	757.67	Calculated Property
Cp,gas	739.59	J/mol×K	838.44	Calculated Property
Cp,gas	773.16	J/mol×K	919.22	Calculated Property
Cp,gas	800.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046515; 0.0002139]	Pa×s	[285.04; 562.56]	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			-1.16127e+01
Coefficient B			1.77927e+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.			285.04
Temperature range, max.			562.56
η	0.0046515	Pa×s	285.04	Calculated Property
η	0.0025290	Pa×s	315.88	Calculated Property
η	0.0015325	Pa×s	346.71	Calculated Property
η	0.0010078	Pa×s	377.55	Calculated Property
η	0.0007060	Pa×s	408.38	Calculated Property
η	0.0005200	Pa×s	439.22	Calculated Property
η	0.0003986	Pa×s	470.05	Calculated Property
η	0.0003158	Pa×s	500.89	Calculated Property
η	0.0002570	Pa×s	531.72	Calculated Property
η	0.0002139	Pa×s	562.56	Calculated Property

Similar Compounds

Find more compounds similar to Menthyl valerate.

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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