Chemical Properties of Benzamide, 3,4-difluoro-N-ethyl-

InChI

InChI=1S/C9H9F2NO/c1-2-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)

InChI Key

ZOTHBTVQULJABH-UHFFFAOYSA-N

Formula

C9H9F2NO

SMILES

CCNC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

185.17

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.19	kJ/mol	Joback Calculated Property
logPoct/wat	1.715		Crippen Calculated Property
McVol	129.000	ml/mol	McGowan Calculated Property
Inp	[1450.00; 1450.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Tboil	512.91	K	Relay (1.0) Calculated Property
Tfus	306.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[177.76; 399.09]	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			7.73100e+00
Coefficient B			7.32720e-01
Coefficient C			-4.25620e-04
Coefficient D			8.42600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.76	J/mol×K	273.00	Calculated Property
Cp,gas	217.41	J/mol×K	353.78	Calculated Property
Cp,gas	252.68	J/mol×K	434.56	Calculated Property
Cp,gas	283.83	J/mol×K	515.33	Calculated Property
Cp,gas	311.12	J/mol×K	596.11	Calculated Property
Cp,gas	334.82	J/mol×K	676.89	Calculated Property
Cp,gas	355.21	J/mol×K	757.67	Calculated Property
Cp,gas	372.53	J/mol×K	838.44	Calculated Property
Cp,gas	387.07	J/mol×K	919.22	Calculated Property
Cp,gas	399.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3,4-difluoro-N-ethyl-.

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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