Chemical Properties of 3,3'(P-phenylene diimino) diphthalide

InChI

InChI=1S/C22H16N2O4/c25-21-17-7-3-1-5-15(17)19(27-21)23-13-9-11-14(12-10-13)24-20-16-6-2-4-8-18(16)22(26)28-20/h1-12,19-20,23-24H

InChI Key

BINQLLJWERQNKD-UHFFFAOYSA-N

Formula

C22H16N2O4

SMILES

O=C1OC(Nc2ccc(NC3OC(=O)c4ccccc43)cc2)c2ccccc21

Molecular Weight¹

372.38

• 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	[345.79; 831.99]	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			-1.07530e+02
Coefficient B			2.06160e+00
Coefficient C			-1.59948e-03
Coefficient D			4.77400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.79	J/mol×K	273.00	Calculated Property
Cp,gas	442.77	J/mol×K	353.78	Calculated Property
Cp,gas	525.48	J/mol×K	434.56	Calculated Property
Cp,gas	595.44	J/mol×K	515.33	Calculated Property
Cp,gas	654.17	J/mol×K	596.11	Calculated Property
Cp,gas	703.16	J/mol×K	676.89	Calculated Property
Cp,gas	743.92	J/mol×K	757.67	Calculated Property
Cp,gas	777.98	J/mol×K	838.44	Calculated Property
Cp,gas	806.83	J/mol×K	919.22	Calculated Property
Cp,gas	831.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,3'(P-phenylene diimino) diphthalide.

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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