Chemical Properties of Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 2)

InChI

InChI=1S/C15H8F12O11/c1-34-7(29)4(28)6(38-11(33)15(25,26)27)5(37-10(32)14(22,23)24)3(36-9(31)13(19,20)21)2-35-8(30)12(16,17)18/h3,5-6H,2H2,1H3

InChI Key

ODXLNIXRVBTRPN-UHFFFAOYSA-N

Formula

C15H8F12O11

SMILES

COC(=O)C(=O)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Molecular Weight¹

592.20

• 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°	-3556.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-4093.67	kJ/mol	Joback Calculated Property
ΔfusH°	46.87	kJ/mol	Joback Calculated Property
ΔvapH°	85.36	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	1.256		Crippen Calculated Property
McVol	282.220	ml/mol	McGowan Calculated Property
Pc	1270.97	kPa	Joback Calculated Property
Inp	[1215.30; 1215.30]
Inp	1215.30		NIST
Inp	1215.30		NIST
Tboil	954.92	K	Joback Calculated Property
Tc	1176.49	K	Joback Calculated Property
Tfus	641.30	K	Joback Calculated Property
Vc	1.155	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[904.59; 925.43]	J/mol×K	[954.92; 1176.49]
Cp,gas	904.59	J/mol×K	954.92	Joback Calculated Property
Cp,gas	910.91	J/mol×K	991.85	Joback Calculated Property
Cp,gas	916.02	J/mol×K	1028.78	Joback Calculated Property
Cp,gas	919.96	J/mol×K	1065.71	Joback Calculated Property
Cp,gas	922.81	J/mol×K	1102.64	Joback Calculated Property
Cp,gas	924.61	J/mol×K	1139.57	Joback Calculated Property
Cp,gas	925.43	J/mol×K	1176.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 2).

Sources

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

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