Chemical Properties of Benzamide, 3-fluoro-5-trifluoromethyl-N-butyl-

InChI

InChI=1S/C12H13F4NO/c1-2-3-4-17-11(18)8-5-9(12(14,15)16)7-10(13)6-8/h5-7H,2-4H2,1H3,(H,17,18)

InChI Key

XIURKIGOLONYQK-UHFFFAOYSA-N

Formula

C12H13F4NO

SMILES

CCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

263.23

• 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°	-672.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-929.72	kJ/mol	Joback Calculated Property
ΔfusH°	31.70	kJ/mol	Joback Calculated Property
ΔvapH°	54.52	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1539.00; 1539.00]
Inp	1539.00		NIST
Inp	1539.00		NIST
Tboil	608.49	K	Joback Calculated Property
Tc	794.47	K	Joback Calculated Property
Tfus	383.83	K	Joback Calculated Property
Vc	0.702	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.87; 520.99]	J/mol×K	[608.49; 794.47]
Cp,gas	454.87	J/mol×K	608.49	Joback Calculated Property
Cp,gas	467.71	J/mol×K	639.49	Joback Calculated Property
Cp,gas	479.77	J/mol×K	670.48	Joback Calculated Property
Cp,gas	491.09	J/mol×K	701.48	Joback Calculated Property
Cp,gas	501.71	J/mol×K	732.47	Joback Calculated Property
Cp,gas	511.67	J/mol×K	763.47	Joback Calculated Property
Cp,gas	520.99	J/mol×K	794.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-fluoro-5-trifluoromethyl-N-butyl-.

Sources

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

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