Chemical Properties of Benzeneacetic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 27750-55-6)

InChI

InChI=1S/C14H24O3Si2/c1-18(2,3)16-13-9-7-8-12(10-13)11-14(15)17-19(4,5)6/h7-10H,11H2,1-6H3

InChI Key

DIZHLFUWBKEJBT-UHFFFAOYSA-N

Formula

C14H24O3Si2

SMILES

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

Molecular Weight¹

296.51

CAS

27750-55-6

Other Names

• Acetic acid, [m-(trimethylsiloxy)phenyl]-, trimethylsilyl ester
• m-Hydroxyphenylacetic acid (tms)
• Trimethylsilyl (3-[(trimethylsilyl)oxy]phenyl)acetate
• 3-Hydroxyphenylacetic acid, O-trimethylsilyl-, trimethylsilyl ester
• 3-Hydroxyphenylacetic acid, diTMS
• (3-Hydroxyphenyl)acetic acid, (2TMS)-
• Benzeneacetic acid, 3-hydroxy, bis-TMS
• Benzeneacetic acid, 3-hydroxy, diTMS
• 3-Hydroxyphenylacetic acid, TMS
• Benzeneacetic acid, 3-hydroxy, TMS
• 3-Hydroxyphenylacetic 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	0.6389		Relay (... Calculated Property
ΔfG°	-221.74	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-760.49	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.04	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-3.16		Relay (... Calculated Property
logPoct/wat	3.821		Crippen Calculated Property
Pc	1206.94	kPa	Relay (... Calculated Property ⚠️
Inp	[1596.00; 1624.00]
Inp	1600.00		NIST
Inp	1616.00		NIST
Inp	1597.00		NIST
Inp	1619.00		NIST
Inp	1597.00		NIST
Inp	1619.00		NIST
Inp	1598.00		NIST
Inp	1600.00		NIST
Inp	1603.00		NIST
Inp	1596.00		NIST
Inp	1598.00		NIST
Inp	1624.00		NIST
Inp	1600.00		NIST
Inp	1619.00		NIST
Tboil	563.77	K	Relay (... Calculated Property
Tc	755.66	K	Relay (... Calculated Property
Tfus	296.22	K	Relay (... Calculated Property
Vc	0.950	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 3-[(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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