Chemical Properties of 2-Ketoadipic acid mo-tbdms

InChI

InChI=1S/C19H39NO5Si2/c1-18(2,3)26(8,9)24-16(21)14-12-13-15(20-23-7)17(22)25-27(10,11)19(4,5)6/h12-14H2,1-11H3

InChI Key

QZUJNZWYYAUSBD-UHFFFAOYSA-N

Formula

C19H39NO5Si2

SMILES

CON=C(CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

417.69

Other Names

• 2-Ketohexanedioic acid mo-tbdms

• 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	0.9026		Relay (1.0) Calculated Property
ΔfG°	-297.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1158.34	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	5.256		Crippen Calculated Property
Pc	1105.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	588.94	K	Relay (1.0) Calculated Property
Tc	804.12	K	Relay (1.0) Calculated Property
Tfus	339.20	K	Relay (1.0) Calculated Property
Vc	1.335	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Ketoadipic acid mo-tbdms.

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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