Chemical Properties of cis-1-carbomethoxy-2-tert-butylcyclohex-3-ene

cis-1-carbomethoxy-2-tert-butylcyclohex-3-ene

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InChI
InChI=1S/C12H20O2/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4/h6,8-10H,5,7H2,1-4H3/t9-,10+/m1/s1
InChI Key
BVSFSMHERIMWGM-ZJUUUORDSA-N
Formula
C12H20O2
SMILES
COC(=O)C1CCC=CC1C(C)(C)C
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -134.22 kJ/mol Joback Calculated Property
Δfgas -452.80 kJ/mol Joback Calculated Property
Δfus 16.34 kJ/mol Joback Calculated Property
Δvap 50.58 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 2274.07 kPa Joback Calculated Property
Tboil 561.06 K Joback Calculated Property
Tc 774.40 K Joback Calculated Property
Tfus 303.48 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 438.71 J/mol×K 561.06 Joback Calculated Property
η 0.00 Pa×s 561.06 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

trans-carbomethoxy-2-tert-butylcyclohex-3-ene. cis-1-carbomethoxy-5-tert-butylcyclohex-3-ene. endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-, methyl ester. exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-, methyl ester. trans-carbomethoxy-2-methylcyclohex-3-ene. cis-1-carbomethoxy-2-methylcyclohex-3-ene. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-. 5-Norbornene-2-carboxylic acid,methyl ester. cis-1-carbomethoxy-1,2-dimethylcyclohex-3-ene. trans-carbomethoxy-1,2-methylcyclohex-3-ene. Methyl helifolen-15-oate. exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. Methyl syn-11-Hydroxymethyl-helifolen-15-oate.

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