Chemical Properties of Tetronic acid, heptafluorobutyrate

InChI

InChI=1S/C8H3F7O4/c9-6(10,7(11,12)8(13,14)15)5(17)19-3-1-4(16)18-2-3/h1H,2H2

InChI Key

SBEGGRFGQKHHNJ-UHFFFAOYSA-N

Formula

C8H3F7O4

SMILES

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

Molecular Weight¹

296.10

• 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	0.5266		Relay (... Calculated Property
ΔfG°	-1716.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-2083.55	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.77	kJ/mol	Joback Calculated Property
ΔvapH°	70.06	kJ/mol	Relay (... Calculated Property
IE	10.68	eV	Relay (... Calculated Property
log10WS	-3.73		Relay (... Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
McVol	135.690	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1048.00; 1048.00]
Inp	1048.00		NIST
Inp	1048.00		NIST
Tboil	475.14	K	Relay (... Calculated Property
Tc	616.15	K	Relay (... Calculated Property
Tfus	274.16	K	Relay (... Calculated Property
Vc	0.520	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.08; 418.95]	J/mol×K	[562.79; 750.77]
Cp,gas	368.08	J/mol×K	562.79	Joback Calculated Property
Cp,gas	378.40	J/mol×K	594.12	Joback Calculated Property
Cp,gas	387.93	J/mol×K	625.45	Joback Calculated Property
Cp,gas	396.71	J/mol×K	656.78	Joback Calculated Property
Cp,gas	404.79	J/mol×K	688.11	Joback Calculated Property
Cp,gas	412.19	J/mol×K	719.44	Joback Calculated Property
Cp,gas	418.95	J/mol×K	750.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetronic acid, heptafluorobutyrate.

Sources

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

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