Chemical Properties of Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 1

Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 1

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InChI
InChI=1S/C12H22O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h9-10H,5-8H2,1-4H3
InChI Key
BWJSSYBIZVGKBG-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
COC(=O)C1CCC(C(C)(C)C)CC1
Molecular Weight1
198.30
Sources

Physical Properties

Property Value Unit Source
Δf -164.18 kJ/mol Joback Calculated Property
Δfgas -510.58 kJ/mol Joback Calculated Property
Δfus 15.11 kJ/mol Joback Calculated Property
Δvap 50.29 kJ/mol Joback Calculated Property
logPoct/wat 3.01 Crippen Calculated Property
Pc 2197.95 kPa Joback Calculated Property
Tboil 561.90 K Joback Calculated Property
Tc 773.24 K Joback Calculated Property
Tfus 302.72 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.11 J/mol×K 561.9 Joback Calculated Property
η 0.00 Pa×s 561.9 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 2. Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 1. Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2. Dimethyl-2,5-diethyladipate. Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis-. Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, trans-. 1,4-Cyclohexanedicarboxylic acid, dimethyl ester. Octanoic acid, 2-ethyl, methyl ester. Methyl cycloundecanecarboxylate. Heptanoic acid, 2-ethyl-, methyl ester. Dimethyl-2-ethylsuberate. Heptanoic acid, 2-propyl-, methyl ester. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, methyl ester. Cyclohexaneacetic acid, &#945;-ethyl-, methyl ester.

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