Chemical Properties of 2-Ketoglutaric acid pfbo-tms

InChI

InChI=1S/C18H24F5NO5Si2/c1-30(2,3)28-12(25)8-7-11(18(26)29-31(4,5)6)24-27-9-10-13(19)15(21)17(23)16(22)14(10)20/h7-9H2,1-6H3

InChI Key

NBAOCXSOVAPOGN-UHFFFAOYSA-N

Formula

C18H24F5NO5Si2

SMILES

C[Si](C)(C)OC(=O)CCC(=NOCc1c(F)c(F)c(F)c(F)c1F)C(=O)O[Si](C)(C)C

Molecular Weight¹

485.55

Other Names

• 2-Ketopentanedioic acid pfbo-tms
• 2-Oxoglutaric acid, O-pentafluorobenzyloxime, TMS

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.9857		Relay (1.0) Calculated Property
ΔfG°	-1076.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1722.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	4.791		Crippen Calculated Property
Pc	712.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	611.85	K	Relay (1.0) Calculated Property
Tc	779.07	K	Relay (1.0) Calculated Property
Tfus	346.92	K	Relay (1.0) Calculated Property
Vc	1.239	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Ketoglutaric acid pfbo-tms.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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