Chemical Properties of Benzamide, 3-trifluoromethyl-2-fluoro-N-propyl-

InChI

InChI=1S/C11H11F4NO/c1-2-6-16-10(17)7-4-3-5-8(9(7)12)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17)

InChI Key

BXUNLCLPQOLJFW-UHFFFAOYSA-N

Formula

C11H11F4NO

SMILES

CCCNC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

249.20

• 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	0.5923		Relay (1.0) Calculated Property
ΔfG°	-681.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-983.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.11	kJ/mol	Joback Calculated Property
ΔvapH°	65.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	2.984		Crippen Calculated Property
McVol	160.720	ml/mol	McGowan Calculated Property
Pc	2361.07	kPa	Joback Calculated Property
Inp	[1435.00; 1435.00]
Inp	1435.00		NIST
Inp	1435.00		NIST
Tboil	525.16	K	Relay (1.0) Calculated Property
Tc	723.55	K	Relay (1.0) Calculated Property
Tfus	319.40	K	Relay (1.0) Calculated Property
Vc	0.583	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.42; 469.23]	J/mol×K	[585.61; 773.57]
Cp,gas	406.42	J/mol×K	585.61	Joback Calculated Property
Cp,gas	418.66	J/mol×K	616.94	Joback Calculated Property
Cp,gas	430.15	J/mol×K	648.26	Joback Calculated Property
Cp,gas	440.91	J/mol×K	679.59	Joback Calculated Property
Cp,gas	450.99	J/mol×K	710.91	Joback Calculated Property
Cp,gas	460.42	J/mol×K	742.24	Joback Calculated Property
Cp,gas	469.23	J/mol×K	773.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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