Chemical Properties of Trimethylsilyl 3,5-dimethoxy-4-(trimethylsilyloxy)benzoate (CAS 10517-29-0)

InChI

InChI=1S/C15H26O5Si2/c1-17-12-9-11(15(16)20-22(6,7)8)10-13(18-2)14(12)19-21(3,4)5/h9-10H,1-8H3

InChI Key

KWOFGVXBWXVAJU-UHFFFAOYSA-N

Formula

C15H26O5Si2

SMILES

COc1cc(C(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C

Molecular Weight¹

342.53

CAS

10517-29-0

Other Names

• Benzoic acid, 3,5-dimethoxy-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester
• Syringic acid d--tms
• Syringic acid-di-TMS
• Syringic acid, TMS
• Syringic acid, 2tms 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	0.8039		Relay (... Calculated Property
ΔfG°	-432.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1028.44	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.26	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-3.28		Relay (... Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
Pc	836.02	kPa	Relay (... Calculated Property ⚠️
Inp	[1884.00; 1888.00]
Inp	1884.00		NIST
Inp	1888.00		NIST
Inp	1884.00		NIST
Tboil	584.85	K	Relay (... Calculated Property
Tc	781.57	K	Relay (... Calculated Property
Tfus	357.92	K	Relay (... Calculated Property
Vc	1.053	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Trimethylsilyl 3,5-dimethoxy-4-(trimethylsilyloxy)benzoate.

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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