Chemical Properties of Acetic acid, 3,4-epoxy-6-methylcyclohexyl methyl ester (CAS 106-85-4)

Acetic acid, 3,4-epoxy-6-methylcyclohexyl methyl ester

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InChI
InChI=1S/C10H16O3/c1-6-3-9-10(13-9)4-8(6)5-12-7(2)11/h6,8-10H,3-5H2,1-2H3
InChI Key
OOLNWDDAWUWWTK-UHFFFAOYSA-N
Formula
C10H16O3
SMILES
CC(=O)OCC1CC2OC2CC1C
Molecular Weight1
184.23
CAS
106-85-4
Other Names
  • 3,4-Epoxy-6-methylcyclohexylmethyl acetate
  • 4-Methyl-7-oxobicyclo(4.1.0)heptane-3-methanol, acetate
  • 6-Methyl-3,4-epoxycyclohexylmethyl acetate
  • 7-Oxabicyclo(4.1.0)heptane-3-methanol, 4-methyl-, acetate
Sources

Physical Properties

Property Value Unit Source
Δf -192.74 kJ/mol Joback Calculated Property
Δfgas -527.77 kJ/mol Joback Calculated Property
Δfus 28.73 kJ/mol Joback Calculated Property
Δvap 50.90 kJ/mol Joback Calculated Property
logPoct/wat 1.36 Crippen Calculated Property
Pc 2707.03 kPa Joback Calculated Property
Tboil 539.85 K Joback Calculated Property
Tc 744.00 K Joback Calculated Property
Tfus 325.07 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 374.38 J/mol×K 539.85 Joback Calculated Property
η 0.00 Pa×s 539.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
-CH3 2
-CH2- 1
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 2

Similar Compounds

7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, 4-methyl-7-oxabicyclo-[4.1.0]heptyl methyl ester. Neocarvomenthyl acetate. Neoisocarvomenthyl acetate. Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-. 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-. trans-p-Menth-2-ene oxide. «DELTA»2-menthene oxide. cis-p-Menth-2-ene oxide. Menthyl acetate. Acetic acid, p-menth-3-yl ester. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«beta»)-. Neoisomenthyl acetate. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«alpha»,5«beta»)-. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate. exo-Tricyclo[6,2,1,0(2,6)]decan-8-«beta»-ol, acetate.

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