Chemical Properties of Benzene, 1-[(tert-butyldimethylsilyl)oxy]-3-methyl- (CAS 62790-75-4)

InChI

InChI=1S/C13H22OSi/c1-11-8-7-9-12(10-11)14-15(5,6)13(2,3)4/h7-10H,1-6H3

InChI Key

HBUBRNBOYWHGHQ-UHFFFAOYSA-N

Formula

C13H22OSi

SMILES

Cc1cccc(O[Si](C)(C)C(C)(C)C)c1

Molecular Weight¹

222.40

CAS

62790-75-4

Other Names

• 1-Dimethyl(tert-butyl)silyloxy-3-methylbenzene
• m-Cresol, TBDMS
• Phenol, 3-methyl, DMTBS
• tert-Butyldimethylsilyl 3-methylphenyl ether
• M-cresol, 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	0.4503		Relay (1.0) Calculated Property
ΔfG°	43.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-318.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	4.379		Crippen Calculated Property
Pc	2099.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1348.00; 1356.00]
Inp	1356.00		NIST
Inp	1348.00		NIST
Inp	1356.00		NIST
Tboil	520.68	K	Relay (1.0) Calculated Property
Tc	725.38	K	Relay (1.0) Calculated Property
Tfus	300.01	K	Relay (1.0) Calculated Property
Vc	0.724	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-[(tert-butyldimethylsilyl)oxy]-3-methyl-.

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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