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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1741		Relay (1.0) Calculated Property
ΔfG°	-342.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-978.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.42	kJ/mol	Joback Calculated Property
ΔvapH°	121.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-8.78		Relay (1.0) Calculated Property
logPoct/wat	8.827		Crippen Calculated Property
McVol	384.390	ml/mol	McGowan Calculated Property
Pc	772.46	kPa	Joback Calculated Property
Inp	[1613.00; 1613.00]
Inp	1613.00		NIST
Inp	1613.00		NIST
Tboil	673.93	K	Relay (1.0) Calculated Property
Tc	862.47	K	Relay (1.0) Calculated Property
Tfus	310.92	K	Relay (1.0) Calculated Property
Vc	1.451	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.34; 1394.56]	J/mol×K	[922.90; 1133.04]
Cp,gas	1289.34	J/mol×K	922.90	Joback Calculated Property
Cp,gas	1309.92	J/mol×K	957.92	Joback Calculated Property
Cp,gas	1329.17	J/mol×K	992.95	Joback Calculated Property
Cp,gas	1347.19	J/mol×K	1027.97	Joback Calculated Property
Cp,gas	1364.04	J/mol×K	1063.00	Joback Calculated Property
Cp,gas	1379.80	J/mol×K	1098.02	Joback Calculated Property
Cp,gas	1394.56	J/mol×K	1133.04	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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