Chemical Properties of Malonic acid, TMS, secondary peak (unknown)

InChI

InChI=1S/C6H12O4Si/c1-11(2,3)10-6(9)4-5(7)8/h4H2,1-3H3,(H,7,8)

InChI Key

YOPGTPLFLDXOQM-UHFFFAOYSA-N

Formula

C6H12O4Si

SMILES

C[Si](C)(C)OC(=O)CC(=O)O

Molecular Weight¹

176.24

• 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	0.6978		Relay (1.0) Calculated Property
ΔfG°	-542.55	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-952.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.31	kJ/mol	Relay (1.0) Calculated Property
IE	10.37	eV	Relay (1.0) Calculated Property
log10WS	-0.27		Relay (1.0) Calculated Property
logPoct/wat	0.839		Crippen Calculated Property
Pc	2344.94	kPa	Relay (1.0-beta) Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST
Tboil	487.29	K	Relay (1.0) Calculated Property
Tc	664.68	K	Relay (1.0) Calculated Property
Tfus	330.31	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, TMS, secondary peak (unknown).

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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