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

InChI

InChI=1S/C16H14F3NO3/c1-22-12-6-7-14(23-2)13(9-12)20-15(21)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3,(H,20,21)

InChI Key

XOZUAHXGRAXOAD-UHFFFAOYSA-N

Formula

C16H14F3NO3

SMILES

COc1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1

Molecular Weight¹

325.28

• 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	0.7763		Relay (... Calculated Property
ΔfG°	-551.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-933.11	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.01	kJ/mol	Joback Calculated Property
ΔvapH°	96.95	kJ/mol	Relay (... Calculated Property
IE	8.07	eV	Relay (... Calculated Property
log10WS	-4.63		Relay (... Calculated Property
logPoct/wat	3.975		Crippen Calculated Property
McVol	217.380	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[2221.00; 2221.00]
Inp	2221.00		NIST
Inp	2221.00		NIST
Tboil	644.39	K	Relay (... Calculated Property
Tc	906.88	K	Relay (... Calculated Property
Tfus	413.27	K	Relay (... Calculated Property
Vc	0.781	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.69; 682.72]	J/mol×K	[777.24; 992.85]
Cp,gas	620.69	J/mol×K	777.24	Joback Calculated Property
Cp,gas	633.51	J/mol×K	813.17	Joback Calculated Property
Cp,gas	645.29	J/mol×K	849.11	Joback Calculated Property
Cp,gas	656.07	J/mol×K	885.04	Joback Calculated Property
Cp,gas	665.87	J/mol×K	920.98	Joback Calculated Property
Cp,gas	674.74	J/mol×K	956.91	Joback Calculated Property
Cp,gas	682.72	J/mol×K	992.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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