Chemical Properties of 2-Fluoro-6-trifluoromethylbenzamide, N-(4-bromophenyl)-

InChI

InChI=1S/C14H8BrF4NO/c15-8-4-6-9(7-5-8)20-13(21)12-10(14(17,18)19)2-1-3-11(12)16/h1-7H,(H,20,21)

InChI Key

GEWBRGGQVNWLDQ-UHFFFAOYSA-N

Formula

C14H8BrF4NO

SMILES

O=C(Nc1ccc(Br)cc1)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

362.12

• 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	0.6573		Relay (1.0) Calculated Property
ΔfG°	-538.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.82	kJ/mol	Joback Calculated Property
ΔvapH°	89.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	4.859		Crippen Calculated Property
McVol	196.730	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	623.15	K	Relay (1.0) Calculated Property
Tc	893.78	K	Relay (1.0) Calculated Property
Tfus	406.84	K	Relay (1.0) Calculated Property
Vc	0.680	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.60; 556.72]	J/mol×K	[752.07; 979.70]
Cp,gas	505.60	J/mol×K	752.07	Joback Calculated Property
Cp,gas	516.12	J/mol×K	790.01	Joback Calculated Property
Cp,gas	525.73	J/mol×K	827.95	Joback Calculated Property
Cp,gas	534.51	J/mol×K	865.88	Joback Calculated Property
Cp,gas	542.54	J/mol×K	903.82	Joback Calculated Property
Cp,gas	549.92	J/mol×K	941.76	Joback Calculated Property
Cp,gas	556.72	J/mol×K	979.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluoro-6-trifluoromethylbenzamide, N-(4-bromophenyl)-.

Sources

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

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