Chemical Properties of 4-Amino-2,3,5,6-tetrafluorobenzamide (CAS 1548-74-9)

InChI

InChI=1S/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)

InChI Key

CAERPAFTLPIDJT-UHFFFAOYSA-N

Formula

C7H4F4N2O

SMILES

NC(=O)c1c(F)c(F)c(N)c(F)c1F

Molecular Weight¹

208.11

CAS

1548-74-9

Other Names

• 4-Aminotetrafluorobenzamide
• Benzamide, 4-amino-2,3,5,6-tetrafluoro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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, 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	[183.94; 335.98]	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			7.88200e+01
Coefficient B			4.35400e-01
Coefficient C			-1.86700e-04
Coefficient D			8.46000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.94	J/mol×K	273.00	Calculated Property
Cp,gas	209.86	J/mol×K	353.78	Calculated Property
Cp,gas	233.46	J/mol×K	434.56	Calculated Property
Cp,gas	254.77	J/mol×K	515.33	Calculated Property
Cp,gas	273.82	J/mol×K	596.11	Calculated Property
Cp,gas	290.62	J/mol×K	676.89	Calculated Property
Cp,gas	305.21	J/mol×K	757.67	Calculated Property
Cp,gas	317.62	J/mol×K	838.44	Calculated Property
Cp,gas	327.86	J/mol×K	919.22	Calculated Property
Cp,gas	335.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Amino-2,3,5,6-tetrafluorobenzamide.

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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