Chemical Properties of Benzamide, 4-(trifluoromethyl)-N-2-ethylhexyl-

InChI

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

InChI Key

HNJDQUWAOKLFTP-UHFFFAOYSA-N

Formula

C16H22F3NO

SMILES

CCCCC(CC)CNC(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

301.35

• 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).
• 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
ΔfG°	-436.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.98	kJ/mol	Joback Calculated Property
ΔfusH°	35.85	kJ/mol	Joback Calculated Property
ΔvapH°	63.20	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	4.652		Crippen Calculated Property
McVol	229.400	ml/mol	McGowan Calculated Property
Pc	1639.10	kPa	Joback Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	695.32	K	Joback Calculated Property
Tc	884.23	K	Joback Calculated Property
Tfus	400.80	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.79; 736.14]	J/mol×K	[695.32; 884.23]
Cp,gas	655.79	J/mol×K	695.32	Joback Calculated Property
Cp,gas	671.38	J/mol×K	726.81	Joback Calculated Property
Cp,gas	686.02	J/mol×K	758.29	Joback Calculated Property
Cp,gas	699.77	J/mol×K	789.78	Joback Calculated Property
Cp,gas	712.67	J/mol×K	821.26	Joback Calculated Property
Cp,gas	724.78	J/mol×K	852.75	Joback Calculated Property
Cp,gas	736.14	J/mol×K	884.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-2-ethylhexyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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