Chemical Properties of Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-methylbutyl)-

InChI

InChI=1S/C13H15F4NO/c1-8(2)6-7-18-12(19)9-4-3-5-10(11(9)14)13(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,18,19)

InChI Key

LXJZJSNLQZVAMM-UHFFFAOYSA-N

Formula

C13H15F4NO

SMILES

CC(C)CCNC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

277.26

• 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	0.6356		Relay (1.0) Calculated Property
ΔfG°	-666.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1046.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.77	kJ/mol	Joback Calculated Property
ΔvapH°	71.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.620		Crippen Calculated Property
McVol	188.900	ml/mol	McGowan Calculated Property
Pc	1989.43	kPa	Joback Calculated Property
Inp	[1591.00; 1591.00]
Inp	1591.00		NIST
Inp	1591.00		NIST
Tboil	548.44	K	Relay (1.0) Calculated Property
Tc	751.25	K	Relay (1.0) Calculated Property
Tfus	326.95	K	Relay (1.0) Calculated Property
Vc	0.679	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.26; 575.42]	J/mol×K	[630.93; 818.32]
Cp,gas	505.26	J/mol×K	630.93	Joback Calculated Property
Cp,gas	518.90	J/mol×K	662.16	Joback Calculated Property
Cp,gas	531.70	J/mol×K	693.39	Joback Calculated Property
Cp,gas	543.72	J/mol×K	724.62	Joback Calculated Property
Cp,gas	554.98	J/mol×K	755.85	Joback Calculated Property
Cp,gas	565.54	J/mol×K	787.08	Joback Calculated Property
Cp,gas	575.42	J/mol×K	818.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-methylbutyl)-.

Sources

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

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