Chemical Properties of 3-Methylcatechol, bis(tert-butyldimethylsilyl) ether

InChI

InChI=1S/C19H36O2Si2/c1-15-13-12-14-16(20-22(8,9)18(2,3)4)17(15)21-23(10,11)19(5,6)7/h12-14H,1-11H3

InChI Key

UZEDLBMTVAAPCC-UHFFFAOYSA-N

Formula

C19H36O2Si2

SMILES

Cc1cccc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

352.66

Other Names

• 3-Methylcatechol, 2tbdms 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	0.6180		Relay (... Calculated Property
ΔfG°	-9.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-656.44	kJ/mol	Relay (... Calculated Property
ΔvapH°	66.02	kJ/mol	Relay (... Calculated Property
IE	8.11	eV	Relay (... Calculated Property
log10WS	-4.81		Relay (... Calculated Property
logPoct/wat	6.763		Crippen Calculated Property
Pc	1363.87	kPa	Relay (... Calculated Property ⚠️
Inp	[1866.60; 1866.60]
Inp	1866.60		NIST
Inp	1866.60		NIST
Tboil	568.95	K	Relay (... Calculated Property
Tc	806.75	K	Relay (... Calculated Property
Tfus	340.15	K	Relay (... Calculated Property
Vc	1.192	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcatechol, bis(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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