Chemical Properties of Fenuron, HFBA

InChI

InChI=1S/C13H11F7N2O2/c1-21(2)10(24)22(8-6-4-3-5-7-8)9(23)11(14,15)12(16,17)13(18,19)20/h3-7H,1-2H3

InChI Key

PXPKBXKIKFRCLC-UHFFFAOYSA-N

Formula

C13H11F7N2O2

SMILES

CN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

Molecular Weight¹

360.23

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[309.88; 679.48]	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			-8.02800e+01
Coefficient B			1.81174e+00
Coefficient C			-1.53260e-03
Coefficient D			4.80620e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.88	J/mol×K	273.00	Calculated Property
Cp,gas	390.14	J/mol×K	353.78	Calculated Property
Cp,gas	457.05	J/mol×K	434.56	Calculated Property
Cp,gas	512.14	J/mol×K	515.33	Calculated Property
Cp,gas	556.92	J/mol×K	596.11	Calculated Property
Cp,gas	592.92	J/mol×K	676.89	Calculated Property
Cp,gas	621.66	J/mol×K	757.67	Calculated Property
Cp,gas	644.65	J/mol×K	838.44	Calculated Property
Cp,gas	663.42	J/mol×K	919.22	Calculated Property
Cp,gas	679.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fenuron, HFBA.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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