Chemical Properties of Benzoic acid, 3-chloro-2-hydroxy, TMS

InChI

InChI=1S/C13H21ClO3Si2/c1-18(2,3)16-12-10(8-7-9-11(12)14)13(15)17-19(4,5)6/h7-9H,1-6H3

InChI Key

FUEDNEOHCASCJB-UHFFFAOYSA-N

Formula

C13H21ClO3Si2

SMILES

C[Si](C)(C)OC(=O)c1cccc(Cl)c1O[Si](C)(C)C

Molecular Weight¹

316.93

• 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	0.6374		Relay (... Calculated Property
ΔfG°	-263.55	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-777.48	kJ/mol	Relay (... Calculated Property
ΔvapH°	69.60	kJ/mol	Relay (... Calculated Property
IE	9.18	eV	Relay (... Calculated Property
log10WS	-4.06		Relay (... Calculated Property
logPoct/wat	4.545		Crippen Calculated Property
Pc	1245.60	kPa	Relay (... Calculated Property ⚠️
Inp	[1659.00; 1659.00]
Inp	1659.00		NIST
Inp	1659.00		NIST
Tboil	549.28	K	Relay (... Calculated Property
Tc	771.49	K	Relay (... Calculated Property
Tfus	310.90	K	Relay (... Calculated Property
Vc	0.938	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-chloro-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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