Chemical Properties of Fenoxanil, N-trifluoroacetyl-

InChI

InChI=1S/C17H17Cl2F3N2O3/c1-9(2)16(4,8-23)24(15(26)17(20,21)22)14(25)10(3)27-13-6-5-11(18)7-12(13)19/h5-7,9-10H,1-4H3

InChI Key

WUHAEAWFJHJBSI-UHFFFAOYSA-N

Formula

C17H17Cl2F3N2O3

SMILES

CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C(=O)C(F)(F)F)C(C)(C#N)C(C)C

Molecular Weight¹

425.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[395.96; 824.58]	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			2.04000e+01
Coefficient B			1.67288e+00
Coefficient C			-1.17132e-03
Coefficient D			3.02620e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.96	J/mol×K	273.00	Calculated Property
Cp,gas	479.03	J/mol×K	353.78	Calculated Property
Cp,gas	551.00	J/mol×K	434.56	Calculated Property
Cp,gas	612.84	J/mol×K	515.33	Calculated Property
Cp,gas	665.50	J/mol×K	596.11	Calculated Property
Cp,gas	709.93	J/mol×K	676.89	Calculated Property
Cp,gas	747.10	J/mol×K	757.67	Calculated Property
Cp,gas	777.96	J/mol×K	838.44	Calculated Property
Cp,gas	803.47	J/mol×K	919.22	Calculated Property
Cp,gas	824.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fenoxanil, N-trifluoroacetyl-.

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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