Chemical Properties of Benzamide, 2,4,5-trifluoro-3-methoxy-N-ethyl-

InChI

InChI=1S/C10H10F3NO2/c1-3-14-10(15)5-4-6(11)8(13)9(16-2)7(5)12/h4H,3H2,1-2H3,(H,14,15)

InChI Key

RASPRTCNTXKOPA-UHFFFAOYSA-N

Formula

C10H10F3NO2

SMILES

CCNC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

233.19

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.27	kJ/mol	Joback Calculated Property
logPoct/wat	1.862		Crippen Calculated Property
McVol	150.730	ml/mol	McGowan Calculated Property
Inp	[1534.00; 1534.00]
Inp	1534.00		NIST
Inp	1534.00		NIST
Tboil	531.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[227.67; 470.17]	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			6.70110e+01
Coefficient B			6.57340e-01
Coefficient C			-2.51340e-04
Coefficient D			-2.84000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.67	J/mol×K	273.00	Calculated Property
Cp,gas	267.98	J/mol×K	353.78	Calculated Property
Cp,gas	304.97	J/mol×K	434.56	Calculated Property
Cp,gas	338.62	J/mol×K	515.33	Calculated Property
Cp,gas	368.94	J/mol×K	596.11	Calculated Property
Cp,gas	395.92	J/mol×K	676.89	Calculated Property
Cp,gas	419.54	J/mol×K	757.67	Calculated Property
Cp,gas	439.79	J/mol×K	838.44	Calculated Property
Cp,gas	456.67	J/mol×K	919.22	Calculated Property
Cp,gas	470.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,4,5-trifluoro-3-methoxy-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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