Chemical Properties of 2-Ketovaleric acid, TMS # 2

InChI

InChI=1S/C11H24O3Si2/c1-8-9-10(13-15(2,3)4)11(12)14-16(5,6)7/h9H,8H2,1-7H3

InChI Key

OHSILHRTQNZRQH-UHFFFAOYSA-N

Formula

C11H24O3Si2

SMILES

CCC=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

260.48

• 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	0.5792		Relay (1.0) Calculated Property
ΔfG°	-285.84	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-838.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	3.510		Crippen Calculated Property
Pc	1219.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[1306.00; 1306.00]
Inp	1306.00		NIST
Inp	1306.00		NIST
Tboil	495.06	K	Relay (1.0) Calculated Property
Tc	645.93	K	Relay (1.0) Calculated Property
Tfus	257.64	K	Relay (1.0) Calculated Property
Vc	0.869	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Ketovaleric acid, TMS # 2.

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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