Chemical Properties of Benzamide, 2,3,4-trifluoro-N-methyl-

InChI

InChI=1S/C8H6F3NO/c1-12-8(13)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3,(H,12,13)

InChI Key

YKIMXPNCTGWWHV-UHFFFAOYSA-N

Formula

C8H6F3NO

SMILES

CNC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

189.13

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5286		Relay (1.0) Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	67.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
logPoct/wat	1.464		Crippen Calculated Property
McVol	116.680	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[1277.00; 1277.00]
Inp	1277.00		NIST
Inp	1277.00		NIST
Tboil	491.53	K	Relay (1.0) Calculated Property
Tc	713.46	K	Relay (1.0) Calculated Property
Vc	0.428	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[167.29; 351.53]	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			2.90300e+01
Coefficient B			5.90020e-01
Coefficient C			-3.20580e-04
Coefficient D			5.30600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.29	J/mol×K	273.00	Calculated Property
Cp,gas	199.99	J/mol×K	353.78	Calculated Property
Cp,gas	229.24	J/mol×K	434.56	Calculated Property
Cp,gas	255.21	J/mol×K	515.33	Calculated Property
Cp,gas	278.07	J/mol×K	596.11	Calculated Property
Cp,gas	297.98	J/mol×K	676.89	Calculated Property
Cp,gas	315.11	J/mol×K	757.67	Calculated Property
Cp,gas	329.64	J/mol×K	838.44	Calculated Property
Cp,gas	341.72	J/mol×K	919.22	Calculated Property
Cp,gas	351.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-methyl-.

Sources

• Cheméo Relay (1.0)
• 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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