Chemical Properties of Phenylmaleic anhydride (CAS 36122-35-7)

InChI

InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H

InChI Key

QZYCWJVSPFQUQC-UHFFFAOYSA-N

Formula

C10H6O3

SMILES

O=C1C=C(c2ccccc2)C(=O)O1

Molecular Weight¹

174.15

CAS

36122-35-7

Other Names

• 2,5-Furandione, 3-phenyl-
• 3-phenyl-2,5-furandione
• 3-phenylfuran-2,5-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[153.44; 362.69]	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			-1.23700e+01
Coefficient B			7.13700e-01
Coefficient C			-4.08640e-04
Coefficient D			7.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.44	J/mol×K	273.00	Calculated Property
Cp,gas	192.08	J/mol×K	353.78	Calculated Property
Cp,gas	226.35	J/mol×K	434.56	Calculated Property
Cp,gas	256.48	J/mol×K	515.33	Calculated Property
Cp,gas	282.69	J/mol×K	596.11	Calculated Property
Cp,gas	305.21	J/mol×K	676.89	Calculated Property
Cp,gas	324.24	J/mol×K	757.67	Calculated Property
Cp,gas	340.02	J/mol×K	838.44	Calculated Property
Cp,gas	352.76	J/mol×K	919.22	Calculated Property
Cp,gas	362.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenylmaleic 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
• Thermodynamic properties of phase transitions of phenyl derivatives of maleic anhydride and oxazole
• 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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