Chemical Properties of Trimethylsilyl O-(trimethylsilyl)isohomovanillate (CAS 321884-12-2)

InChI

InChI=1S/C15H26O4Si2/c1-17-13-9-8-12(10-14(13)18-20(2,3)4)11-15(16)19-21(5,6)7/h8-10H,11H2,1-7H3

InChI Key

IFNJBUFMVPFOLL-UHFFFAOYSA-N

Formula

C15H26O4Si2

SMILES

COc1ccc(CC(=O)O[Si](C)(C)C)cc1O[Si](C)(C)C

Molecular Weight¹

326.54

CAS

321884-12-2

Other Names

• Benzeneacetic acid, 3-hydroxy-4-methoxy, bis-TMS
• Benzeneacetic acid, 4-methoxy-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
• Benzeneacetic acid, 3-hydroxy-4-methoxy, TMS

• 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	0.7332		Relay (1.0) Calculated Property
ΔfG°	-315.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-904.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-3.14		Relay (1.0) Calculated Property
logPoct/wat	3.829		Crippen Calculated Property
Pc	1023.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[1757.00; 1757.00]
Inp	1757.00		NIST
Inp	1757.00		NIST
Tboil	584.13	K	Relay (1.0) Calculated Property
Tc	775.78	K	Relay (1.0) Calculated Property
Tfus	331.66	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Trimethylsilyl O-(trimethylsilyl)isohomovanillate.

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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