Chemical Properties of N-(2-Ethoxyphenyl)-N-2,2,2-trifluoroacetyl-2,2,2-trifluoroacetamide

InChI

InChI=1S/C12H9F6NO3/c1-2-22-8-6-4-3-5-7(8)19(9(20)11(13,14)15)10(21)12(16,17)18/h3-6H,2H2,1H3

InChI Key

WGJJMKHKRFBNIM-UHFFFAOYSA-N

Formula

C12H9F6NO3

SMILES

CCOc1ccccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F

Molecular Weight¹

329.20

• 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	0.6156		Relay (1.0) Calculated Property
ΔfG°	-1262.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1613.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.55	kJ/mol	Joback Calculated Property
ΔvapH°	70.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.070		Crippen Calculated Property
McVol	185.790	ml/mol	McGowan Calculated Property
Pc	2106.13	kPa	Joback Calculated Property
Inp	[1229.00; 1229.00]
Inp	1229.00		NIST
Inp	1229.00		NIST
Tboil	508.52	K	Relay (1.0) Calculated Property
Tc	703.41	K	Relay (1.0) Calculated Property
Tfus	325.18	K	Relay (1.0) Calculated Property
Vc	0.685	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.81; 561.30]	J/mol×K	[637.38; 819.84]
Cp,gas	503.81	J/mol×K	637.38	Joback Calculated Property
Cp,gas	515.32	J/mol×K	667.79	Joback Calculated Property
Cp,gas	525.99	J/mol×K	698.20	Joback Calculated Property
Cp,gas	535.89	J/mol×K	728.61	Joback Calculated Property
Cp,gas	545.04	J/mol×K	759.02	Joback Calculated Property
Cp,gas	553.49	J/mol×K	789.43	Joback Calculated Property
Cp,gas	561.30	J/mol×K	819.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Ethoxyphenyl)-N-2,2,2-trifluoroacetyl-2,2,2-trifluoroacetamide.

Sources

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

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