Chemical Properties of Dichloroacetamide, N-(2-fluorophenyl)-

InChI

InChI=1S/C8H6Cl2FNO/c9-7(10)8(13)12-6-4-2-1-3-5(6)11/h1-4,7H,(H,12,13)

InChI Key

QTWULMASGKOCHL-UHFFFAOYSA-N

Formula

C8H6Cl2FNO

SMILES

O=C(Nc1ccccc1F)C(Cl)Cl

Molecular Weight¹

222.04

• 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).
• I_np : Non-polar retention indices.
• 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, 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	[172.29; 360.55]	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			1.23500e+01
Coefficient B			7.04900e-01
Coefficient C			-4.65860e-04
Coefficient D			1.09160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.29	J/mol×K	273.00	Calculated Property
Cp,gas	208.25	J/mol×K	353.78	Calculated Property
Cp,gas	239.65	J/mol×K	434.56	Calculated Property
Cp,gas	266.83	J/mol×K	515.33	Calculated Property
Cp,gas	290.13	J/mol×K	596.11	Calculated Property
Cp,gas	309.90	J/mol×K	676.89	Calculated Property
Cp,gas	326.48	J/mol×K	757.67	Calculated Property
Cp,gas	340.22	J/mol×K	838.44	Calculated Property
Cp,gas	351.46	J/mol×K	919.22	Calculated Property
Cp,gas	360.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetamide, N-(2-fluorophenyl)-.

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