Chemical Properties of Benzamide, 2-(trifluoromethyl)-N-octyl-

InChI

InChI=1S/C16H22F3NO/c1-2-3-4-5-6-9-12-20-15(21)13-10-7-8-11-14(13)16(17,18)19/h7-8,10-11H,2-6,9,12H2,1H3,(H,20,21)

InChI Key

UEHCVFDGBJTKHT-UHFFFAOYSA-N

Formula

C16H22F3NO

SMILES

CCCCCCCCNC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

301.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	4.796		Crippen Calculated Property
McVol	229.400	ml/mol	McGowan Calculated Property
Pc	1628.54	kPa	Joback Calculated Property
Inp	[1992.00; 1992.00]
Inp	1992.00		NIST
Inp	1992.00		NIST
Tfus	313.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[330.44; 771.81]	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			-3.13130e+01
Coefficient B			1.59482e+00
Coefficient C			-1.06166e-03
Coefficient D			2.69960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.44	J/mol×K	273.00	Calculated Property
Cp,gas	411.98	J/mol×K	353.78	Calculated Property
Cp,gas	483.40	J/mol×K	434.56	Calculated Property
Cp,gas	545.55	J/mol×K	515.33	Calculated Property
Cp,gas	599.30	J/mol×K	596.11	Calculated Property
Cp,gas	645.50	J/mol×K	676.89	Calculated Property
Cp,gas	684.99	J/mol×K	757.67	Calculated Property
Cp,gas	718.64	J/mol×K	838.44	Calculated Property
Cp,gas	747.29	J/mol×K	919.22	Calculated Property
Cp,gas	771.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-(trifluoromethyl)-N-octyl-.

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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