Chemical Properties of Alpha,alpha'-diacetyl-4,4'-difluoro-glutaranilide (CAS 807-75-0)

InChI

InChI=1S/C21H20F2N2O4/c1-12(26)18(20(28)24-16-7-3-14(22)4-8-16)11-19(13(2)27)21(29)25-17-9-5-15(23)6-10-17/h3-10,18-19H,11H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

NGEIWFJRFMSXKY-UHFFFAOYSA-N

Formula

C21H20F2N2O4

SMILES

CC(=O)C(CC(C(C)=O)C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1

Molecular Weight¹

402.39

CAS

807-75-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[919.66; 960.09]	J/mol×K	[1056.88; 1297.37]
Cp,gas	919.66	J/mol×K	1056.88	Joback Calculated Property
Cp,gas	928.79	J/mol×K	1096.96	Joback Calculated Property
Cp,gas	936.85	J/mol×K	1137.04	Joback Calculated Property
Cp,gas	943.91	J/mol×K	1177.12	Joback Calculated Property
Cp,gas	950.08	J/mol×K	1217.20	Joback Calculated Property
Cp,gas	955.44	J/mol×K	1257.29	Joback Calculated Property
Cp,gas	960.09	J/mol×K	1297.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alpha,alpha'-diacetyl-4,4'-difluoro-glutaranilide.

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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