Chemical Properties of Benzeneacetic acid, «alpha»,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 37148-64-4)

InChI

InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-12-10-14(11-13-15)16(20-23(4,5)6)17(18)21-24(7,8)9/h10-13,16H,1-9H3

InChI Key

YPRXSYQBVBCYJZ-UHFFFAOYSA-N

Formula

C17H32O4Si3

SMILES

C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

384.69

CAS

37148-64-4

Other Names

• Mandelic acid, 4-hydroxy, tris-TMS
• Mandelic acid, 4-hydroxy, (3TMS)-
• Mandelic acid, 4-hydroxy, TMS
• Mandelic acid, 4-hydroxy, bis-TMS
• 4-Hydroxymandelic acid, 3tms 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	0.7104		Relay (1.0) Calculated Property
ΔfG°	-317.37	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1035.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	5.171		Crippen Calculated Property
Pc	662.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[1782.00; 1802.00]
Inp	1782.00		NIST
Inp	1785.00		NIST
Inp	1790.00		NIST
Inp	1785.00		NIST
Inp	1785.00		NIST
Inp	Outlier 1802.00		NIST
Inp	1785.00		NIST
Inp	1782.00		NIST
Tboil	572.85	K	Relay (1.0) Calculated Property
Tc	775.50	K	Relay (1.0) Calculated Property
Tfus	340.66	K	Relay (1.0) Calculated Property
Vc	1.233	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»,4-bis[(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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.