Chemical Properties of 4-Chloro-3-methylphenol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C13H21ClOSi/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-9H,1-6H3

InChI Key

VYYHAUWKROQSHK-UHFFFAOYSA-N

Formula

C13H21ClOSi

SMILES

Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1Cl

Molecular Weight¹

256.84

Other Names

• 4-chloro-3-methylphenol , TBDMS
• 4-Chloro-3-methylphenol, tbdms derivative

• 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	0.4737		Relay (1.0) Calculated Property
ΔfG°	18.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-366.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	5.032		Crippen Calculated Property
Pc	2060.49	kPa	Relay (1.0-beta) Calculated Property
Inp	[1563.50; 1563.50]
Inp	1563.50		NIST
Inp	1563.50		NIST
Tboil	544.95	K	Relay (1.0) Calculated Property
Tc	762.14	K	Relay (1.0) Calculated Property
Tfus	334.12	K	Relay (1.0) Calculated Property
Vc	0.762	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-3-methylphenol, tert-butyldimethylsilyl ether.

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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