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

InChI

InChI=1S/C13H16F3NO/c1-9(2)6-7-17-12(18)10-4-3-5-11(8-10)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)

InChI Key

PNWRTYLJSNYYSV-UHFFFAOYSA-N

Formula

C13H16F3NO

SMILES

CC(C)CCNC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

259.27

• 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°	28.08	kJ/mol	Joback Calculated Property
logPoct/wat	3.481		Crippen Calculated Property
McVol	187.130	ml/mol	McGowan Calculated Property
Inp	[1678.00; 1678.00]
Inp	1678.00		NIST
Inp	1678.00		NIST
Tboil	551.04	K	Relay (1.0) Calculated Property
Tfus	329.02	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	[266.49; 617.57]	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			-3.02680e+01
Coefficient B			1.31574e+00
Coefficient C			-9.01660e-04
Coefficient D			2.33760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.49	J/mol×K	273.00	Calculated Property
Cp,gas	332.71	J/mol×K	353.78	Calculated Property
Cp,gas	390.41	J/mol×K	434.56	Calculated Property
Cp,gas	440.32	J/mol×K	515.33	Calculated Property
Cp,gas	483.17	J/mol×K	596.11	Calculated Property
Cp,gas	519.72	J/mol×K	676.89	Calculated Property
Cp,gas	550.69	J/mol×K	757.67	Calculated Property
Cp,gas	576.83	J/mol×K	838.44	Calculated Property
Cp,gas	598.88	J/mol×K	919.22	Calculated Property
Cp,gas	617.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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