Chemical Properties of 4-Fluoro-2-trifluoromethylbenzamide, N-(3-methylphenyl)-

InChI

InChI=1S/C15H11F4NO/c1-9-3-2-4-11(7-9)20-14(21)12-6-5-10(16)8-13(12)15(17,18)19/h2-8H,1H3,(H,20,21)

InChI Key

IFRJXSLFHFAACR-UHFFFAOYSA-N

Formula

C15H11F4NO

SMILES

Cc1cccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1

Molecular Weight¹

297.25

• 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	0.6577		Relay (1.0) Calculated Property
ΔfG°	-544.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.12	kJ/mol	Joback Calculated Property
ΔvapH°	85.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.405		Crippen Calculated Property
McVol	193.320	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Inp	[1931.00; 1931.00]
Inp	1931.00		NIST
Inp	1931.00		NIST
Tboil	608.53	K	Relay (1.0) Calculated Property
Tc	872.91	K	Relay (1.0) Calculated Property
Tfus	385.38	K	Relay (1.0) Calculated Property
Vc	0.694	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.18; 586.70]	J/mol×K	[708.79; 922.89]
Cp,gas	524.18	J/mol×K	708.79	Joback Calculated Property
Cp,gas	536.84	J/mol×K	744.47	Joback Calculated Property
Cp,gas	548.52	J/mol×K	780.16	Joback Calculated Property
Cp,gas	559.28	J/mol×K	815.84	Joback Calculated Property
Cp,gas	569.18	J/mol×K	851.52	Joback Calculated Property
Cp,gas	578.30	J/mol×K	887.21	Joback Calculated Property
Cp,gas	586.70	J/mol×K	922.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzamide, N-(3-methylphenyl)-.

Sources

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

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