Chemical Properties of 4-Aminobenzoic acid, N,O-bis(trifluoroacetyl)-

InChI

InChI=1S/C11H5F6NO4/c12-10(13,14)8(20)18-6-3-1-5(2-4-6)7(19)22-9(21)11(15,16)17/h1-4H,(H,18,20)

InChI Key

JHXIHVYKFWOXHJ-UHFFFAOYSA-N

Formula

C11H5F6NO4

SMILES

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

Molecular Weight¹

329.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.22	kJ/mol	Joback Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	2.433		Crippen Calculated Property
McVol	173.270	ml/mol	McGowan Calculated Property
Inp	[1488.00; 1488.00]
Inp	1488.00		NIST
Inp	1488.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.77; 533.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.00000e-01
Coefficient B			1.19820e+00
Coefficient C			-8.97360e-04
Coefficient D			2.33020e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.77	J/mol×K	273.00	Calculated Property
Cp,gas	321.70	J/mol×K	353.78	Calculated Property
Cp,gas	370.15	J/mol×K	434.56	Calculated Property
Cp,gas	410.85	J/mol×K	515.33	Calculated Property
Cp,gas	444.54	J/mol×K	596.11	Calculated Property
Cp,gas	471.97	J/mol×K	676.89	Calculated Property
Cp,gas	493.85	J/mol×K	757.67	Calculated Property
Cp,gas	510.94	J/mol×K	838.44	Calculated Property
Cp,gas	523.96	J/mol×K	919.22	Calculated Property
Cp,gas	533.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Aminobenzoic acid, N,O-bis(trifluoroacetyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.