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

• 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	0.6707		Relay (1.0) Calculated Property
ΔfG°	-302.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-787.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	5.199		Crippen Calculated Property
Pc	1186.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tboil	564.31	K	Relay (1.0) Calculated Property
Tc	798.19	K	Relay (1.0) Calculated Property
Tfus	337.67	K	Relay (1.0) Calculated Property
Vc	0.980	m3/kmol	Relay (1.0) Calculated Property

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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