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

InChI

InChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-21(27)19-15-14-16-20(18-19)22(23,24)25/h14-16,18H,2-13,17H2,1H3,(H,26,27)

InChI Key

HQZUMJRIVUMZHV-UHFFFAOYSA-N

Formula

C22H34F3NO

SMILES

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

Molecular Weight¹

385.51

• 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°	54.91	kJ/mol	Joback Calculated Property
log10WS	-7.29		Relay (1.0) Calculated Property
logPoct/wat	7.136		Crippen Calculated Property
McVol	313.940	ml/mol	McGowan Calculated Property
Inp	[2610.00; 2610.00]
Inp	2610.00		NIST
Inp	2610.00		NIST
Tboil	646.28	K	Relay (1.0) Calculated Property
Tfus	336.52	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	[457.72; 1081.35]	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			-3.67670e+01
Coefficient B			2.16482e+00
Coefficient C			-1.38806e-03
Coefficient D			3.41360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.72	J/mol×K	273.00	Calculated Property
Cp,gas	570.49	J/mol×K	353.78	Calculated Property
Cp,gas	669.86	J/mol×K	434.56	Calculated Property
Cp,gas	756.93	J/mol×K	515.33	Calculated Property
Cp,gas	832.77	J/mol×K	596.11	Calculated Property
Cp,gas	898.46	J/mol×K	676.89	Calculated Property
Cp,gas	955.09	J/mol×K	757.67	Calculated Property
Cp,gas	1003.73	J/mol×K	838.44	Calculated Property
Cp,gas	1045.45	J/mol×K	919.22	Calculated Property
Cp,gas	1081.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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