Chemical Properties of Benzoic acid, 4-(trifluoroacetylamino)- (CAS 404-26-2)

InChI

InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,13,16)(H,14,15)

InChI Key

TZDURDLECJWHJD-UHFFFAOYSA-N

Formula

C9H6F3NO3

SMILES

O=C(O)c1ccc(NC(=O)C(F)(F)F)cc1

Molecular Weight¹

233.14

CAS

404-26-2

• 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°	-759.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-925.03	kJ/mol	Joback Calculated Property
ΔfusH°	26.93	kJ/mol	Joback Calculated Property
ΔvapH°	71.43	kJ/mol	Joback Calculated Property
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	1.886		Crippen Calculated Property
McVol	138.210	ml/mol	McGowan Calculated Property
Pc	3668.65	kPa	Joback Calculated Property
Inp	[1649.00; 1649.00]
Inp	1649.00		NIST
Inp	1649.00		NIST
Tboil	681.65	K	Joback Calculated Property
Tc	878.18	K	Joback Calculated Property
Tfus	447.66	K	Joback Calculated Property
Vc	0.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.15; 402.33]	J/mol×K	[681.65; 878.18]
Cp,gas	363.15	J/mol×K	681.65	Joback Calculated Property
Cp,gas	371.11	J/mol×K	714.41	Joback Calculated Property
Cp,gas	378.45	J/mol×K	747.16	Joback Calculated Property
Cp,gas	385.19	J/mol×K	779.92	Joback Calculated Property
Cp,gas	391.40	J/mol×K	812.67	Joback Calculated Property
Cp,gas	397.10	J/mol×K	845.43	Joback Calculated Property
Cp,gas	402.33	J/mol×K	878.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(trifluoroacetylamino)-.

Sources

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

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