Chemical Properties of Benzeneacetic acid, 2-methoxy-«alpha»-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55530-66-0)

InChI

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

InChI Key

AXAHAFRCRQFTMF-UHFFFAOYSA-N

Formula

C15H26O4Si2

SMILES

COc1ccccc1C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

326.54

CAS

55530-66-0

Other Names

• o-Methoxymandelic acid, trimethylsiloxy-, trimethylsilyl ester
• o-Methoxymandelic acid (2TMS)
• Mandelic acid, 2-methoxy, bis-TMS
• Mandelic acid, 2-methoxy, TMS
• O-methoxymandelic 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	0.6503		Relay (... Calculated Property
ΔfG°	-311.86	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-886.10	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.82	kJ/mol	Relay (... Calculated Property
IE	8.24	eV	Relay (... Calculated Property
log10WS	-2.24		Relay (... Calculated Property
logPoct/wat	3.966		Crippen Calculated Property
Pc	1109.40	kPa	Relay (... Calculated Property ⚠️
Inp	[1618.00; 1618.00]
Inp	1618.00		NIST
Inp	1618.00		NIST
Tboil	561.64	K	Relay (... Calculated Property
Tc	758.29	K	Relay (... Calculated Property
Tfus	328.65	K	Relay (... Calculated Property
Vc	1.005	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 2-methoxy-«alpha»-[(trimethylsilyl)oxy]-, trimethylsilyl ester.

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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