Chemical Properties of (Z)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate

(Z)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate

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InChI
InChI=1S/C12H20O2/c1-12(2)8-4-6-10(9-12)5-3-7-11(13)14/h5H,3-4,6-9H2,1-2H3,(H,13,14)/b10-5-
InChI Key
MOVMOZAHZNEFET-YHYXMXQVSA-N
Formula
C12H20O2
SMILES
CC1(C)CCCC(=CCCC(=O)O)C1
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -151.16 kJ/mol Joback Calculated Property
Δfgas -410.23 kJ/mol Joback Calculated Property
Δfus 18.38 kJ/mol Joback Calculated Property
Δvap 65.80 kJ/mol Joback Calculated Property
logPoct/wat 3.38 Crippen Calculated Property
Pc 2668.02 kPa Joback Calculated Property
Tboil 646.44 K Joback Calculated Property
Tc 847.77 K Joback Calculated Property
Tfus 377.39 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 469.07 J/mol×K 646.44 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (z)-. Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (E)-. Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (Z)-. (E)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetic acid. (Z)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetic acid. (E)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate. 1,2,4,4-tetramethylcycloheptene. ethyl (E)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetate. ethyl (Z)-3,3-dimethyl~yclohexane-«DELTA»1,«alpha»-acetate. 1,1,4-trimethylcycloheptene. 1,4,4-trimethylcycloheptene. 3,3-dimethylcyclohex-6-eneacetaldehyde. Cyclohexane, 1-methyl-3-(1-methylethylidene)-. 6-Tridecene, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-. 11-nor-Drim-7-ene.

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