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

InChI

InChI=1S/C16H22F3NO/c1-4-5-9-20(10-8-11(2)3)16(21)12-6-7-13(17)15(19)14(12)18/h6-7,11H,4-5,8-10H2,1-3H3

InChI Key

KIRSDKHAGVHEFJ-UHFFFAOYSA-N

Formula

C16H22F3NO

SMILES

CCCCN(CCC(C)C)C(=O)c1ccc(F)c(F)c1F

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°	-437.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-810.11	kJ/mol	Joback Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	61.42	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.392		Crippen Calculated Property
McVol	229.400	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	670.78	K	Joback Calculated Property
Tc	850.43	K	Joback Calculated Property
Tfus	403.23	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.56; 716.53]	J/mol×K	[670.78; 850.43]
Cp,gas	634.56	J/mol×K	670.78	Joback Calculated Property
Cp,gas	650.17	J/mol×K	700.72	Joback Calculated Property
Cp,gas	664.97	J/mol×K	730.66	Joback Calculated Property
Cp,gas	678.97	J/mol×K	760.61	Joback Calculated Property
Cp,gas	692.22	J/mol×K	790.55	Joback Calculated Property
Cp,gas	704.73	J/mol×K	820.49	Joback Calculated Property
Cp,gas	716.53	J/mol×K	850.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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