Chemical Properties of 2,4,6-Tribromo-3-methyl-phenol, trimethylsilyl ether

InChI

InChI=1S/C10H13Br3OSi/c1-6-7(11)5-8(12)10(9(6)13)14-15(2,3)4/h5H,1-4H3

InChI Key

SGNJYYQCOVUCFY-UHFFFAOYSA-N

Formula

C10H13Br3OSi

SMILES

Cc1c(Br)cc(Br)c(O[Si](C)(C)C)c1Br

Molecular Weight¹

417.01

Other Names

• 2,4,6-Tribromo-3-trimethylsilyloxytoluene
• 2,4,6-Tribromo-m-cresol trimethylsilyl ether

• 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	0.5258		Relay (1.0) Calculated Property
ΔfG°	-85.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-209.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.496		Crippen Calculated Property
Pc	1784.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	578.62	K	Relay (1.0) Calculated Property
Tc	792.82	K	Relay (1.0) Calculated Property
Tfus	375.54	K	Relay (1.0) Calculated Property
Vc	0.739	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Tribromo-3-methyl-phenol, trimethylsilyl 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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