Chemical Properties of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«beta»)- (CAS 20777-45-1)

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«beta»)-

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InChI
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m0/s1
InChI Key
XHXUANMFYXWVNG-ZMLRMANQSA-N
Formula
C12H22O2
SMILES
CC(=O)OC1CC(C)CCC1C(C)C
Molecular Weight1
198.30
CAS
20777-45-1
Other Names
  • Isomenthol acetate
  • Isomenthyl acetate
  • Menthol, acetate, iso-
Sources

Physical Properties

Property Value Unit Source
Δf -177.17 kJ/mol Joback Calculated Property
Δfgas -527.45 kJ/mol Joback Calculated Property
Δfus 20.08 kJ/mol Joback Calculated Property
Δvap 50.89 kJ/mol Joback Calculated Property
logPoct/wat 3.010 Crippen Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Tboil 560.02 K Joback Calculated Property
Tc 763.29 K Joback Calculated Property
Tfus 281.06 K Joback Calculated Property
Vc 0.656 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 456.30 J/mol×K 560.02 Joback Calculated Property
η 0.0002377 Pa×s 560.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«alpha»,5«beta»)-. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate. Menthyl acetate. Acetic acid, p-menth-3-yl ester. Neoisomenthyl acetate. Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-. Neocarvomenthyl acetate. Neoisocarvomenthyl acetate. 2-tert-butylcyclohexyl acetate 1. 2-tert-butylcyclohexyl acetate 2. Menthyl valerate. Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-. exo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate. exo-Tricyclo[6,2,1,0(2,6)]decan-8-«beta»-ol, acetate. endo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate.

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