Chemical Properties of 4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride

InChI

InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3

InChI Key

OEMSKMUAMXLNKL-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CC1=CCC2C(=O)OC(=O)C2C1

Molecular Weight¹

166.18

Other Names

• Isomethyltetrahydrophthalic anhydride
• 4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
• 4-Methyl-«delta»-4-tetrahydrophthalic anhydride
• 4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
• 4-Methyltetrahydrophthalic anhydride
• 4-Methyl-cyclohex-4-en-1,2-dicarboxylic acid anhydride
• 5-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
• 1,2,3,6-Tetrahydro-4-methylphthalic anhydride
• NSC 52669

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.41; 417.80]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.69800e+01
Coefficient B			8.12420e-01
Coefficient C			-4.41440e-04
Coefficient D			7.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.41	J/mol×K	273.00	Calculated Property
Cp,gas	208.45	J/mol×K	353.78	Calculated Property
Cp,gas	248.76	J/mol×K	434.56	Calculated Property
Cp,gas	284.55	J/mol×K	515.33	Calculated Property
Cp,gas	316.08	J/mol×K	596.11	Calculated Property
Cp,gas	343.57	J/mol×K	676.89	Calculated Property
Cp,gas	367.25	J/mol×K	757.67	Calculated Property
Cp,gas	387.36	J/mol×K	838.44	Calculated Property
Cp,gas	404.13	J/mol×K	919.22	Calculated Property
Cp,gas	417.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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