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

Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-

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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
Sources

Physical Properties

Property Value Unit Source
Δf -151.91 kJ/mol Joback Calculated Property
Δfgas -589.37 kJ/mol Joback Calculated Property
Δfus 27.85 kJ/mol Joback Calculated Property
Δvap 57.56 kJ/mol Joback Calculated Property
logPoct/wat 4.181 Crippen Calculated Property
Pc 1645.76 kPa Joback Calculated Property
Tboil 628.66 K Joback Calculated Property
Tc 823.75 K Joback Calculated Property
Tfus 314.87 K Joback Calculated Property
Vc 0.825 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 617.44 J/mol×K 628.66 Joback Calculated Property
η 0.0001865 Pa×s 628.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
-CH2- 3
-CH3 4
>CH- (ring) 3
-CH2- (ring) 3

Similar Compounds

Menthyl valerate. (-)-Dimethyl succinate. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«alpha»,5«beta»)-. Acetic acid, p-menth-3-yl ester. Menthyl acetate. Neoisomenthyl acetate. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«beta»)-. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate. Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-. Neoisocarvomenthyl acetate. Neocarvomenthyl acetate. 2-tert-butylcyclohexyl acetate 1. 2-tert-butylcyclohexyl acetate 2. 5-Bromovaleric acid, 2-adamantyl ester. Glutaric acid, di(2-ethylcyclohexyl) ester.

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