Chemical Properties of 2-Hydroxyphenylacetic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester (CAS 959090-83-6)

InChI

InChI=1S/C20H36O3Si2/c1-19(2,3)24(7,8)22-17-14-12-11-13-16(17)15-18(21)23-25(9,10)20(4,5)6/h11-14H,15H2,1-10H3

InChI Key

OTIWHNGSPMESEW-UHFFFAOYSA-N

Formula

C20H36O3Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)Cc1ccccc1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

380.67

CAS

959090-83-6

Other Names

• tert-Butyl(dimethyl)silyl (2-pyrrol[tert-butyl(dimethyl)silyl]oxymorphophenyl)acetate

• 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	0.7002		Relay (1.0) Calculated Property
ΔfG°	-142.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-852.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	6.162		Crippen Calculated Property
Pc	1332.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[2026.30; 2026.30]
Inp	2026.30		NIST
Inp	2026.30		NIST
Tboil	594.27	K	Relay (1.0) Calculated Property
Tc	838.29	K	Relay (1.0) Calculated Property
Tfus	356.93	K	Relay (1.0) Calculated Property
Vc	1.239	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyphenylacetic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl 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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