Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester

InChI

InChI=1S/C15H7F6NO4/c16-14(17,18)8-1-6-12(15(19,20)21)11(7-8)13(23)26-10-4-2-9(3-5-10)22(24)25/h1-7H

InChI Key

HQUDURDOGOMJHN-UHFFFAOYSA-N

Formula

C15H7F6NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

379.21

• 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°	-1090.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1364.00	kJ/mol	Joback Calculated Property
ΔfusH°	39.32	kJ/mol	Joback Calculated Property
ΔvapH°	73.78	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	4.852		Crippen Calculated Property
McVol	210.170	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	828.19	K	Joback Calculated Property
Tc	1053.48	K	Joback Calculated Property
Tfus	573.36	K	Joback Calculated Property
Vc	0.852	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.98; 654.42]	J/mol×K	[828.19; 1053.48]
Cp,gas	609.98	J/mol×K	828.19	Joback Calculated Property
Cp,gas	619.38	J/mol×K	865.74	Joback Calculated Property
Cp,gas	627.87	J/mol×K	903.29	Joback Calculated Property
Cp,gas	635.53	J/mol×K	940.84	Joback Calculated Property
Cp,gas	642.45	J/mol×K	978.38	Joback Calculated Property
Cp,gas	648.72	J/mol×K	1015.93	Joback Calculated Property
Cp,gas	654.42	J/mol×K	1053.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester.

Sources

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

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