Chemical Properties of Benzamide, 4-(trifluoromethyl)-N-butyl-N-nonyl-

InChI

InChI=1S/C21H32F3NO/c1-3-5-7-8-9-10-11-17-25(16-6-4-2)20(26)18-12-14-19(15-13-18)21(22,23)24/h12-15H,3-11,16-17H2,1-2H3

InChI Key

FZZWLEBNYBPGFK-UHFFFAOYSA-N

Formula

C21H32F3NO

SMILES

CCCCCCCCCN(CCCC)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

371.48

• 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	0.9238		Relay (1.0) Calculated Property
ΔfG°	-371.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-983.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.24	kJ/mol	Joback Calculated Property
ΔvapH°	92.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	6.698		Crippen Calculated Property
McVol	299.850	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2912.00; 2912.00]
Inp	2912.00		NIST
Inp	2912.00		NIST
Tboil	637.46	K	Relay (1.0) Calculated Property
Tc	819.24	K	Relay (1.0) Calculated Property
Tfus	319.53	K	Relay (1.0) Calculated Property
Vc	1.120	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.64; 1012.66]	J/mol×K	[772.43; 955.16]
Cp,gas	920.64	J/mol×K	772.43	Joback Calculated Property
Cp,gas	938.27	J/mol×K	802.89	Joback Calculated Property
Cp,gas	954.91	J/mol×K	833.34	Joback Calculated Property
Cp,gas	970.61	J/mol×K	863.80	Joback Calculated Property
Cp,gas	985.43	J/mol×K	894.25	Joback Calculated Property
Cp,gas	999.42	J/mol×K	924.71	Joback Calculated Property
Cp,gas	1012.66	J/mol×K	955.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-butyl-N-nonyl-.

Sources

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

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