Chemical Properties of 3-Cyclohexene-1-carboxylic acid (CAS 4771-80-6)

3-Cyclohexene-1-carboxylic acid

InChI
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
InChI Key
VUSWCWPCANWBFG-UHFFFAOYSA-N
Formula
C7H10O2
SMILES
O=C(O)C1CC=CCC1
Molecular Weight1
126.15
CAS
4771-80-6
Other Names
  • 1,2,3,6-Tetrahydrobenzoic acid
  • 1-Cyclohexene-4-carboxylic acid
  • 3-Cyclohexenecarboxylic acid
  • Kyselina 1,2,5,6-tetrahydrobenzoova
  • NSC 44712
  • NSC 44883
  • cyclohex-3-ene-1-carboxylic acid
  • «delta»3-Cyclohexenecarboxylic acid
  • «delta»3-Cyclohexenylcarboxylic acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 17.09 kJ/mol Joback Calculated Property
IE 9.40 eV Relay (1.0) Calculated Property
log10WS -0.94 Relay (1.0) Calculated Property
logPoct/wat 1.427 Crippen Calculated Property
McVol 101.770 ml/mol McGowan Calculated Property
I 1360.00 NIST
Tboil 501.45 K Relay (1.0) Calculated Property
Tfus 273.98 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [234.68; 300.75] J/mol×K [523.98; 750.77] Show Hide
Cp,gas 234.68 J/mol×K 523.98 Joback Calculated Property
Cp,gas 247.75 J/mol×K 561.78 Joback Calculated Property
Cp,gas 259.95 J/mol×K 599.58 Joback Calculated Property
Cp,gas 271.32 J/mol×K 637.38 Joback Calculated Property
Cp,gas 281.88 J/mol×K 675.18 Joback Calculated Property
Cp,gas 291.68 J/mol×K 712.98 Joback Calculated Property
Cp,gas 300.75 J/mol×K 750.77 Joback Calculated Property
η [0.0002984; 0.0019262] Pa×s [337.39; 523.98] Show Hide
η 0.0019262 Pa×s 337.39 Joback Calculated Property
η 0.0012381 Pa×s 368.49 Joback Calculated Property
η 0.0008525 Pa×s 399.59 Joback Calculated Property
η 0.0006194 Pa×s 430.69 Joback Calculated Property
η 0.0004699 Pa×s 461.78 Joback Calculated Property
η 0.0003691 Pa×s 492.88 Joback Calculated Property
η 0.0002984 Pa×s 523.98 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 402.50 ± 1.50 K 2.40 NIST

Similar Compounds

3-Cyclohexene-1-carboxylic acid, methyl ester. Ethyl 3-cyclohexenecarboxylate. cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid. Bicyclo[2.2.1]-5-heptene-2-carboxylic acid. Exo-bicyclo(2.2.1)hept-5-ene-2-carboxylic acid. cis-1-carbomethoxy-5-methylcyclohex-3-ene. trans-carbomethoxy-5-methylcyclohex-3-ene. 2-(Cyclopenten-1-yl)acetic acid. 9-Octadecenylsuccinic acid. cis-1-carbomethoxy-2-methylcyclohex-3-ene. trans-carbomethoxy-2-methylcyclohex-3-ene. 2-Allyl-4-methyl-4-pentenoic acid. 1-carbomethoxy-3-methylcyclohex-3-ene. 4-Cyclohexene-1,2-dicarboxylic acid, dimethyl ester. cis-1,2,3,6-Tetrahydrophthalic anhydride.

Find more compounds similar to 3-Cyclohexene-1-carboxylic acid.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.