Chemical Properties of 1-Methyl-1-cyclohexanecarboxylic acid

1-Methyl-1-cyclohexanecarboxylic acid

InChI
InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
InChI Key
REHQLKUNRPCYEW-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CC1(C(=O)O)CCCCC1
Molecular Weight1
142.20
Other Names
  • 1-Methyl-1-cyclohexanecarboxylic acid
  • 1-Methylcyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 1-methyl-
  • 1-methylcyclohexane-1-carboxylic acid
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Physical Properties

Property Value Unit Source
ω 0.5572 Relay (1.0) Calculated Property
ΔfG° -308.47 kJ/mol Joback Calculated Property
ΔfH°gas -514.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.16 kJ/mol Joback Calculated Property
ΔvapH° 72.14 kJ/mol Relay (1.0) Calculated Property
IE 10.09 eV Relay (1.0) Calculated Property
logPoct/wat 2.041 Crippen Calculated Property
McVol 120.160 ml/mol McGowan Calculated Property
Pc 3686.49 kPa Joback Calculated Property
Tboil 507.20 K NIST
Tc 727.09 K Relay (1.0) Calculated Property
Tfus 328.77 K Relay (1.0) Calculated Property
Vc 0.418 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [297.32; 373.65] J/mol×K [547.94; 777.76] Show Hide
Cp,gas 297.32 J/mol×K 547.94 Joback Calculated Property
Cp,gas 312.21 J/mol×K 586.24 Joback Calculated Property
Cp,gas 326.04 J/mol×K 624.55 Joback Calculated Property
Cp,gas 338.96 J/mol×K 662.85 Joback Calculated Property
Cp,gas 351.11 J/mol×K 701.15 Joback Calculated Property
Cp,gas 362.62 J/mol×K 739.45 Joback Calculated Property
Cp,gas 373.65 J/mol×K 777.76 Joback Calculated Property

Similar Compounds

Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methyl-. Cyclopentanecarboxylic acid, 1-methyl-. Neodecanoic acid. Bicyclo[2.2.2]octane-1-carboxylic acid. 2,2-Dimethylvaleric acid. Adamantane-1-carboxylic acid. Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethyl)-, cis-. Cyclohexane-1,1-dicarboxylic acid. 4a(2H)-naphthalenecarboxylic acid, octahydro-, trans-. Cyclohexanecarboxylic acid, 1-cyclohexyl-. 4a(2H)-Naphthalenecarboxylic acid, octahydro-, cis-. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester. D-Campholic acid. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Heptanoic acid, 2-ethyl-2-methyl, methyl ester.

Find more compounds similar to 1-Methyl-1-cyclohexanecarboxylic acid.

Sources

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