Chemical Properties of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)- (CAS 89-47-4)

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

89-47-4

Other Names

• (1«alpha»,2«beta»,5«alpha»)-3-Methylbutanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
• Menthyl valerate
• Validol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.44; 730.29]	J/mol×K	[628.66; 823.75]
Cp,gas	617.44	J/mol×K	628.66	Joback Calculated Property
Cp,gas	638.98	J/mol×K	661.18	Joback Calculated Property
Cp,gas	659.41	J/mol×K	693.69	Joback Calculated Property
Cp,gas	678.75	J/mol×K	726.21	Joback Calculated Property
Cp,gas	697.00	J/mol×K	758.72	Joback Calculated Property
Cp,gas	714.18	J/mol×K	791.24	Joback Calculated Property
Cp,gas	730.29	J/mol×K	823.75	Joback Calculated Property
η	[0.0001866; 0.0030275]	Pa×s	[314.87; 628.66]
η	0.0030275	Pa×s	314.87	Joback Calculated Property
η	0.0013669	Pa×s	367.17	Joback Calculated Property
η	0.0007525	Pa×s	419.47	Joback Calculated Property
η	0.0004729	Pa×s	471.76	Joback Calculated Property
η	0.0003260	Pa×s	524.06	Joback Calculated Property
η	0.0002405	Pa×s	576.36	Joback Calculated Property
η	0.0001866	Pa×s	628.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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