Chemical Properties of Benzamide, N-(2,5-dimethoxyphenyl)-2,3,4-trifluoro-

InChI

InChI=1S/C15H12F3NO3/c1-21-8-3-6-12(22-2)11(7-8)19-15(20)9-4-5-10(16)14(18)13(9)17/h3-7H,1-2H3,(H,19,20)

InChI Key

OFFBZNITOMFZNY-UHFFFAOYSA-N

Formula

C15H12F3NO3

SMILES

COc1ccc(OC)c(NC(=O)c2ccc(F)c(F)c2F)c1

Molecular Weight¹

311.26

• 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	0.7838		Relay (1.0) Calculated Property
ΔfG°	-581.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-798.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.06	kJ/mol	Joback Calculated Property
ΔvapH°	99.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	3.373		Crippen Calculated Property
McVol	203.290	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	631.37	K	Relay (1.0) Calculated Property
Tc	897.15	K	Relay (1.0) Calculated Property
Tfus	416.27	K	Relay (1.0) Calculated Property
Vc	0.739	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.05; 620.80]	J/mol×K	[767.55; 977.97]
Cp,gas	562.05	J/mol×K	767.55	Joback Calculated Property
Cp,gas	574.12	J/mol×K	802.62	Joback Calculated Property
Cp,gas	585.28	J/mol×K	837.69	Joback Calculated Property
Cp,gas	595.52	J/mol×K	872.76	Joback Calculated Property
Cp,gas	604.86	J/mol×K	907.83	Joback Calculated Property
Cp,gas	613.29	J/mol×K	942.90	Joback Calculated Property
Cp,gas	620.80	J/mol×K	977.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(2,5-dimethoxyphenyl)-2,3,4-trifluoro-.

Sources

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

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