Chemical Properties of 2-Deoxytetrono-1,4-lactone, mono-TMS

InChI

InChI=1S/C7H14O3Si/c1-11(2,3)10-6-4-7(8)9-5-6/h6H,4-5H2,1-3H3

InChI Key

MWWSTXOEDHCEKT-UHFFFAOYSA-N

Formula

C7H14O3Si

SMILES

C[Si](C)(C)OC1COC(=O)C1

Molecular Weight¹

174.27

Other Names

• 2-Deoxytetronic acid, 1,4-lactone, 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	0.4262		Relay (1.0) Calculated Property
ΔfG°	-329.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-668.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	56.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.21	eV	Relay (1.0) Calculated Property
log10WS	-0.20		Relay (1.0) Calculated Property
logPoct/wat	1.153		Crippen Calculated Property
Pc	2325.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[1216.00; 1223.00]
Inp	1216.00		NIST
Inp	1223.00		NIST
Tboil	507.43	K	Relay (1.0) Calculated Property
Tc	668.32	K	Relay (1.0) Calculated Property
Tfus	274.23	K	Relay (1.0) Calculated Property
Vc	0.522	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Deoxytetrono-1,4-lactone, mono-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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