Chemical Properties of Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl-

InChI

InChI=1S/C21H31F4NO/c1-4-7-9-14-26(15-16(6-3)11-8-5-2)20(27)17-12-10-13-18(19(17)22)21(23,24)25/h10,12-13,16H,4-9,11,14-15H2,1-3H3

InChI Key

AUHBPCKHTJUAFJ-UHFFFAOYSA-N

Formula

C21H31F4NO

SMILES

CCCCCN(CC(CC)CCCC)C(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

389.47

• 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°	-577.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1106.70	kJ/mol	Joback Calculated Property
ΔfusH°	49.41	kJ/mol	Joback Calculated Property
ΔvapH°	69.78	kJ/mol	Joback Calculated Property
log10WS	-7.41		Crippen Calculated Property
logPoct/wat	6.693		Crippen Calculated Property
McVol	301.620	ml/mol	McGowan Calculated Property
Pc	1092.82	kPa	Joback Calculated Property
Inp	[2437.00; 2437.00]
Inp	2437.00		NIST
Inp	2437.00		NIST
Tboil	776.24	K	Joback Calculated Property
Tc	957.88	K	Joback Calculated Property
Tfus	450.07	K	Joback Calculated Property
Vc	1.183	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.50; 1018.62]	J/mol×K	[776.24; 957.88]
Cp,gas	928.50	J/mol×K	776.24	Joback Calculated Property
Cp,gas	945.79	J/mol×K	806.51	Joback Calculated Property
Cp,gas	962.10	J/mol×K	836.79	Joback Calculated Property
Cp,gas	977.48	J/mol×K	867.06	Joback Calculated Property
Cp,gas	991.99	J/mol×K	897.33	Joback Calculated Property
Cp,gas	1005.68	J/mol×K	927.61	Joback Calculated Property
Cp,gas	1018.62	J/mol×K	957.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-2-ethylhexyl-.

Sources

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

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