Chemical Properties of Tetronic acid, trifluoroacetate

InChI

InChI=1S/C6H3F3O4/c7-6(8,9)5(11)13-3-1-4(10)12-2-3/h1H,2H2

InChI Key

GWLYACFXDZCQTH-UHFFFAOYSA-N

Formula

C6H3F3O4

SMILES

O=C1C=C(OC(=O)C(F)(F)F)CO1

Molecular Weight¹

196.08

• 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	0.4340		Relay (... Calculated Property
ΔfG°	-959.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1208.62	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.10	kJ/mol	Joback Calculated Property
ΔvapH°	63.52	kJ/mol	Relay (... Calculated Property
IE	10.55	eV	Relay (... Calculated Property
log10WS	-1.13		Relay (... Calculated Property
logPoct/wat	0.533		Crippen Calculated Property
McVol	100.430	ml/mol	McGowan Calculated Property
Pc	3886.79	kPa	Joback Calculated Property
Inp	[996.00; 996.00]
Inp	996.00		NIST
Inp	996.00		NIST
Tboil	462.47	K	Relay (... Calculated Property
Tc	606.17	K	Relay (... Calculated Property
Tfus	304.72	K	Relay (... Calculated Property
Vc	0.378	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.98; 287.13]	J/mol×K	[526.41; 734.88]
Cp,gas	239.98	J/mol×K	526.41	Joback Calculated Property
Cp,gas	249.17	J/mol×K	561.16	Joback Calculated Property
Cp,gas	257.82	J/mol×K	595.90	Joback Calculated Property
Cp,gas	265.94	J/mol×K	630.65	Joback Calculated Property
Cp,gas	273.53	J/mol×K	665.39	Joback Calculated Property
Cp,gas	280.59	J/mol×K	700.14	Joback Calculated Property
Cp,gas	287.13	J/mol×K	734.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetronic acid, trifluoroacetate.

Sources

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

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