Chemical Properties of 2,2,2-Trifluoro-N-[4-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]acetamide (CAS 5252-79-9)

InChI

InChI=1S/C16H10F6N2O3/c17-15(18,19)13(25)23-9-1-5-11(6-2-9)27-12-7-3-10(4-8-12)24-14(26)16(20,21)22/h1-8H,(H,23,25)(H,24,26)

InChI Key

ICELGZHOASOPJY-UHFFFAOYSA-N

Formula

C16H10F6N2O3

SMILES

O=C(Nc1ccc(Oc2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F

Molecular Weight¹

392.25

CAS

5252-79-9

Other Names

• N,N'-(Oxydi-4,1-phenylene)bis(2,2,2-trifluoroacetamide)
• N,N'-(Oxydibenzene-4,1-diyl)bis(2,2,2-trifluoroacetamide)

• 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	0.7738		Relay (1.0) Calculated Property
ΔfG°	-1057.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1533.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.74	kJ/mol	Joback Calculated Property
ΔvapH°	102.28	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.481		Crippen Calculated Property
McVol	228.370	ml/mol	McGowan Calculated Property
Pc	2030.89	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	630.41	K	Relay (1.0) Calculated Property
Tc	902.29	K	Relay (1.0) Calculated Property
Tfus	446.15	K	Relay (1.0) Calculated Property
Vc	0.805	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.94; 727.84]	J/mol×K	[848.46; 1059.98]
Cp,gas	681.94	J/mol×K	848.46	Joback Calculated Property
Cp,gas	691.53	J/mol×K	883.71	Joback Calculated Property
Cp,gas	700.23	J/mol×K	918.97	Joback Calculated Property
Cp,gas	708.13	J/mol×K	954.22	Joback Calculated Property
Cp,gas	715.31	J/mol×K	989.47	Joback Calculated Property
Cp,gas	721.85	J/mol×K	1024.73	Joback Calculated Property
Cp,gas	727.84	J/mol×K	1059.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trifluoro-N-[4-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]acetamide.

Sources

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

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