Chemical Properties of 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride (CAS 5333-84-6)

3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride

InChI
InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3
InChI Key
XPEKVUUBSDFMDR-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
CC1C=CCC2C(=O)OC(=O)C12
Molecular Weight1
166.17
CAS
5333-84-6
Other Names
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
  • Maleic anhydride and 1,3-pentadiene adduct
  • 1,2,3,6-Tetrahydro-3-methylphthalic anhydride
  • 3-Methyl-«delta»4-tetrahydrophthalic anhydride
  • 3-Methyl-1,2,3,6-tetrahydrophthalic anhydride
  • 3-Methyltetrahydrophthalic anhydride
  • 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-
  • NSC 2352
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° 19.41 kJ/mol Joback Calculated Property
logPoct/wat 0.898 Crippen Calculated Property
McVol 120.660 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [163.13; 427.50] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.53400e+01
Coefficient B8.45420e-01
Coefficient C-4.53080e-04
Coefficient D7.05000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 163.13 J/mol×K 273.00 Calculated Property
Cp,gas 210.17 J/mol×K 353.78 Calculated Property
Cp,gas 252.27 J/mol×K 434.56 Calculated Property
Cp,gas 289.66 J/mol×K 515.33 Calculated Property
Cp,gas 322.56 J/mol×K 596.11 Calculated Property
Cp,gas 351.19 J/mol×K 676.89 Calculated Property
Cp,gas 375.78 J/mol×K 757.67 Calculated Property
Cp,gas 396.54 J/mol×K 838.44 Calculated Property
Cp,gas 413.71 J/mol×K 919.22 Calculated Property
Cp,gas 427.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride. cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride. 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-. (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride. Carbic anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-. cis-1,2,3,6-Tetrahydrophthalic anhydride. trans-carbomethoxy-2-methylcyclohex-3-ene. cis-1-carbomethoxy-2-methylcyclohex-3-ene. trans-carbomethoxy-2-tert-butylcyclohex-3-ene. cis-1-carbomethoxy-2-tert-butylcyclohex-3-ene. cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid. 4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylbutyl) ester. 4-Cyclohexene-1,2-dicarboxylic acid, di-(2-methylpropyl) ester.

Find more compounds similar to 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.