Chemical Properties of 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride

InChI

InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2H,3-4H2

InChI Key

XCGJCRKHWHYKIE-UHFFFAOYSA-N

Formula

C8H6O3

SMILES

O=C1OC(=O)C2=C1CC=CC2

Molecular Weight¹

150.13

Other Names

• 1,3-Isobenzofurandione, 4,7-dihydro-
• Cyclohexa-1,4-diene-1,2-dicarboxylic acid, anhydride

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

Physical Properties

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	[133.74; 318.55]	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			-1.58700e+01
Coefficient B			6.54900e-01
Coefficient C			-4.18080e-04
Coefficient D			9.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.74	J/mol×K	273.00	Calculated Property
Cp,gas	167.81	J/mol×K	353.78	Calculated Property
Cp,gas	197.78	J/mol×K	434.56	Calculated Property
Cp,gas	223.95	J/mol×K	515.33	Calculated Property
Cp,gas	246.63	J/mol×K	596.11	Calculated Property
Cp,gas	266.14	J/mol×K	676.89	Calculated Property
Cp,gas	282.77	J/mol×K	757.67	Calculated Property
Cp,gas	296.85	J/mol×K	838.44	Calculated Property
Cp,gas	308.67	J/mol×K	919.22	Calculated Property
Cp,gas	318.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene-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

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.
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