Chemical Properties of 3-Deoxy-threo-pentaric acid, TMS

InChI

InChI=1S/C17H40O6Si4/c1-24(2,3)20-14(16(18)22-26(7,8)9)13-15(21-25(4,5)6)17(19)23-27(10,11)12/h14-15H,13H2,1-12H3/t14-,15+

InChI Key

KJJOKCNZSWRSBI-GASCZTMLSA-N

Formula

C17H40O6Si4

SMILES

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

Molecular Weight¹

452.84

• 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

Similar Compounds

Find more compounds similar to 3-Deoxy-threo-pentaric acid, 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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