Chemical Properties of 1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid (CAS 13746-43-5)

1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid

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InChI
InChI=1S/C10H16O2/c1-7-4-5-8(9(11)12)10(2,3)6-7/h6,8H,4-5H2,1-3H3,(H,11,12)
InChI Key
LMQGITVNFNTYPJ-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CC1=CC(C)(C)C(C(=O)O)CC1
Molecular Weight1
168.23
CAS
13746-43-5
Other Names
  • 2,2,4-Trimethylcyclohex-3-ene-1-carboxylic acid
Sources

Physical Properties

Property Value Unit Source
Δf -200.84 kJ/mol Joback Calculated Property
Δfgas -419.01 kJ/mol Joback Calculated Property
Δfus 14.78 kJ/mol Joback Calculated Property
Δvap 61.20 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 3138.51 kPa Joback Calculated Property
Tboil 593.51 K Joback Calculated Property
Tc 797.37 K Joback Calculated Property
Tfus 353.53 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 370.88 J/mol×K 593.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

1,3,3-Trimethylcyclohex-1-ene-4-carboxaldehyde, (+,-)-. Isozizanoic acid. Helifolen-12-oic acid (anti,anti,anti). Helifolen-12-oic acid (syn,anti,anti). Helifolen-12-oic acid (syn,syn,syn). Helifolen-12-oic acid (anti-syn-syn). 3-Cyclohexene-1-carboxylic acid, 4-methyl-, methyl ester. 1-carbomethoxy-1,4-dimethylcyclohex-3-ene. 1-carbomethoxy-1-methyl-4-tert-butylcyclohex-3-ene. Exo-bicyclo(2.2.1)hept-5-ene-2-carboxylic acid. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. 2-Methylbicyclo(2.2.1)-5-heptene-2-carboxylic acid. cis-1-carbomethoxy-5-tert-butylcyclohex-3-ene. Dihydroartemisinic acid. Methyl helifolen-15-oate.

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