Chemical Properties of Benzoic acid, 3,6-dichloro-2-hydroxy, TMS

InChI

InChI=1S/C13H20Cl2O3Si2/c1-19(2,3)17-12-10(15)8-7-9(14)11(12)13(16)18-20(4,5)6/h7-8H,1-6H3

InChI Key

KUISTZYDIDGLCU-UHFFFAOYSA-N

Formula

C13H20Cl2O3Si2

SMILES

C[Si](C)(C)OC(=O)c1c(Cl)ccc(Cl)c1O[Si](C)(C)C

Molecular Weight¹

351.37

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	5.199		Crippen Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tfus	325.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Benzoic acid, 3,6-dichloro-2-hydroxy, 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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