Chemical Properties of 3-(Trifluoroacetyloxy)benzoic trifluoroacetic anhydride

InChI

InChI=1S/C11H4F6O5/c12-10(13,14)8(19)21-6-3-1-2-5(4-6)7(18)22-9(20)11(15,16)17/h1-4H

InChI Key

QOQCOHFUGYJITO-UHFFFAOYSA-N

Formula

C11H4F6O5

SMILES

O=C(OC(=O)C(F)(F)F)c1cccc(OC(=O)C(F)(F)F)c1

Molecular Weight¹

330.14

• 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°	-1615.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1841.65	kJ/mol	Joback Calculated Property
ΔfusH°	28.72	kJ/mol	Joback Calculated Property
ΔvapH°	60.58	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	2.400		Crippen Calculated Property
McVol	169.160	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[1152.00; 1152.00]
Inp	1152.00		NIST
Inp	1152.00		NIST
Tboil	678.35	K	Joback Calculated Property
Tc	870.39	K	Joback Calculated Property
Tfus	455.30	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.42; 497.67]	J/mol×K	[678.35; 870.39]
Cp,gas	454.42	J/mol×K	678.35	Joback Calculated Property
Cp,gas	463.37	J/mol×K	710.36	Joback Calculated Property
Cp,gas	471.57	J/mol×K	742.36	Joback Calculated Property
Cp,gas	479.08	J/mol×K	774.37	Joback Calculated Property
Cp,gas	485.91	J/mol×K	806.38	Joback Calculated Property
Cp,gas	492.10	J/mol×K	838.38	Joback Calculated Property
Cp,gas	497.67	J/mol×K	870.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Trifluoroacetyloxy)benzoic trifluoroacetic anhydride.

Sources

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

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