Chemical Properties of 2-Deoxy-2-C-(hydroxymethyl) tetronic acid, tris-TMS

InChI

InChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(17(18)22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h15-16H,13-14H2,1-12H3

InChI Key

YMGRCXGPOLLTQL-UHFFFAOYSA-N

Formula

C17H42O5Si4

SMILES

C[Si](C)(C)OCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

438.85

• 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	0.7319		Relay (1.0) Calculated Property
ΔfG°	-485.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1469.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-2.27		Relay (1.0) Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
Pc	383.12	kPa	Relay (1.0-beta) Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	556.94	K	Relay (1.0) Calculated Property
Tc	720.67	K	Relay (1.0) Calculated Property
Tfus	264.79	K	Relay (1.0) Calculated Property
Vc	1.477	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Deoxy-2-C-(hydroxymethyl) tetronic acid, tris-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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