Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C16H14F3NO4/c1-22-8-4-5-12(23-2)11(6-8)20-16(21)9-7-10(17)14(19)15(24-3)13(9)18/h4-7H,1-3H3,(H,20,21)

InChI Key

XSEUYVZDQHAXDR-UHFFFAOYSA-N

Formula

C16H14F3NO4

SMILES

COc1ccc(OC)c(NC(=O)c2cc(F)c(F)c(OC)c2F)c1

Molecular Weight¹

341.28

• 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	0.8624		Relay (1.0) Calculated Property
ΔfG°	-688.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.45	kJ/mol	Joback Calculated Property
ΔvapH°	101.66	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	3.382		Crippen Calculated Property
McVol	223.250	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
Inp	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	640.58	K	Relay (1.0) Calculated Property
Tc	922.81	K	Relay (1.0) Calculated Property
Tfus	432.68	K	Relay (1.0) Calculated Property
Vc	0.819	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.93; 697.13]	J/mol×K	[817.83; 1026.52]
Cp,gas	640.93	J/mol×K	817.83	Joback Calculated Property
Cp,gas	652.90	J/mol×K	852.61	Joback Calculated Property
Cp,gas	663.84	J/mol×K	887.39	Joback Calculated Property
Cp,gas	673.75	J/mol×K	922.18	Joback Calculated Property
Cp,gas	682.62	J/mol×K	956.96	Joback Calculated Property
Cp,gas	690.42	J/mol×K	991.74	Joback Calculated Property
Cp,gas	697.13	J/mol×K	1026.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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