Chemical Properties of Benzamide, 3-(trifluoromethyl)-N-butyl-

InChI

InChI=1S/C12H14F3NO/c1-2-3-7-16-11(17)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17)

InChI Key

CQSSXBUAUOOYFP-UHFFFAOYSA-N

Formula

C12H14F3NO

SMILES

CCCCNC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

245.24

• 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_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°	29.01	kJ/mol	Joback Calculated Property
log10WS	-3.71		Relay (1.0) Calculated Property
logPoct/wat	3.235		Crippen Calculated Property
McVol	173.040	ml/mol	McGowan Calculated Property
Inp	[1620.00; 1620.00]
Inp	1620.00		NIST
Inp	1620.00		NIST
Tboil	540.53	K	Relay (1.0) Calculated Property
Tfus	315.31	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 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	[245.59; 565.44]	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			-2.76770e+01
Coefficient B			1.21482e+00
Coefficient C			-8.44060e-04
Coefficient D			2.22360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.59	J/mol×K	273.00	Calculated Property
Cp,gas	306.30	J/mol×K	353.78	Calculated Property
Cp,gas	359.09	J/mol×K	434.56	Calculated Property
Cp,gas	404.64	J/mol×K	515.33	Calculated Property
Cp,gas	443.66	J/mol×K	596.11	Calculated Property
Cp,gas	476.85	J/mol×K	676.89	Calculated Property
Cp,gas	504.93	J/mol×K	757.67	Calculated Property
Cp,gas	528.58	J/mol×K	838.44	Calculated Property
Cp,gas	548.52	J/mol×K	919.22	Calculated Property
Cp,gas	565.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-butyl-.

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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