Chemical Properties of 2-(Bis(trifluoroacetyl)amino)phenyl trifluoroacetate

InChI

InChI=1S/C12H4F9NO4/c13-10(14,15)7(23)22(8(24)11(16,17)18)5-3-1-2-4-6(5)26-9(25)12(19,20)21/h1-4H

InChI Key

AKOGAMFZGCLQDM-UHFFFAOYSA-N

Formula

C12H4F9NO4

SMILES

O=C(Oc1ccccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

397.15

Other Names

• o-Aminophenol, N,N,O-tris(trifluoroacetyl)-

• 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).
• 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
ΔfG°	-1972.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-2259.62	kJ/mol	Joback Calculated Property
ΔfusH°	34.97	kJ/mol	Joback Calculated Property
ΔvapH°	58.69	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	3.139		Crippen Calculated Property
McVol	192.670	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[1114.00; 1114.00]
Inp	1114.00		NIST
Inp	1114.00		NIST
Tboil	685.83	K	Joback Calculated Property
Tc	864.56	K	Joback Calculated Property
Tfus	481.00	K	Joback Calculated Property
Vc	0.782	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.79; 588.27]	J/mol×K	[685.83; 864.56]
Cp,gas	544.79	J/mol×K	685.83	Joback Calculated Property
Cp,gas	553.81	J/mol×K	715.62	Joback Calculated Property
Cp,gas	562.05	J/mol×K	745.41	Joback Calculated Property
Cp,gas	569.56	J/mol×K	775.19	Joback Calculated Property
Cp,gas	576.39	J/mol×K	804.98	Joback Calculated Property
Cp,gas	582.61	J/mol×K	834.77	Joback Calculated Property
Cp,gas	588.27	J/mol×K	864.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Bis(trifluoroacetyl)amino)phenyl trifluoroacetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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