Chemical Properties of 3-Ketoadipic acid, TMS # 1

InChI

InChI=1S/C12H24O5Si2/c1-18(2,3)16-11(14)8-7-10(13)9-12(15)17-19(4,5)6/h7-9H2,1-6H3

InChI Key

DOEYEWCTCLMKDV-UHFFFAOYSA-N

Formula

C12H24O5Si2

SMILES

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

Molecular Weight¹

304.49

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 3-Ketoadipic acid, TMS # 1.

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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