Chemical Properties of Benzamide, 2,3,4-trifluoro-N-butyl-N-hexadecyl-

InChI

InChI=1S/C27H44F3NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-31(21-6-4-2)27(32)23-19-20-24(28)26(30)25(23)29/h19-20H,3-18,21-22H2,1-2H3

InChI Key

XDTCWZUXZDIJEE-UHFFFAOYSA-N

Formula

C27H44F3NO

SMILES

CCCCCCCCCCCCCCCCN(CCCC)C(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

455.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	72.42	kJ/mol	Joback Calculated Property
ΔvapH°	123.01	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	8.827		Crippen Calculated Property
McVol	384.390	ml/mol	McGowan Calculated Property
Inp	[1613.00; 1613.00]
Inp	1613.00		NIST
Inp	1613.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[569.68; 1332.90]	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			2.27800e+00
Coefficient B			2.44274e+00
Coefficient C			-1.41818e-03
Coefficient D			3.06060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	569.68	J/mol×K	273.00	Calculated Property
Cp,gas	702.52	J/mol×K	353.78	Calculated Property
Cp,gas	821.09	J/mol×K	434.56	Calculated Property
Cp,gas	926.37	J/mol×K	515.33	Calculated Property
Cp,gas	1019.31	J/mol×K	596.11	Calculated Property
Cp,gas	1100.88	J/mol×K	676.89	Calculated Property
Cp,gas	1172.06	J/mol×K	757.67	Calculated Property
Cp,gas	1233.81	J/mol×K	838.44	Calculated Property
Cp,gas	1287.10	J/mol×K	919.22	Calculated Property
Cp,gas	1332.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-hexadecyl-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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