Chemical Properties of Benzenepropanoic acid, 3-methoxy-«alpha»,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55887-61-1)

InChI

InChI=1S/C19H36O5Si3/c1-21-17-13-15(11-12-16(17)22-25(2,3)4)14-18(23-26(5,6)7)19(20)24-27(8,9)10/h11-13,18H,14H2,1-10H3

InChI Key

AXGULIYEKPVHPG-UHFFFAOYSA-N

Formula

C19H36O5Si3

SMILES

COc1cc(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C

Molecular Weight¹

428.74

CAS

55887-61-1

Other Names

• Benzenepropanoic acid, «alpha»,4-dihydroxy-3-methoxy, tris-TMS

• 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	0.8278		Relay (... Calculated Property
ΔfG°	-395.65	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1195.21	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.59	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-3.00		Relay (... Calculated Property
logPoct/wat	5.050		Crippen Calculated Property
Pc	421.24	kPa	Relay (... Calculated Property ⚠️
Inp	[2022.00; 2028.00]
Inp	2028.00		NIST
Inp	2022.00		NIST
Inp	2028.00		NIST
Tboil	604.79	K	Relay (... Calculated Property
Tc	798.12	K	Relay (... Calculated Property
Tfus	324.47	K	Relay (... Calculated Property
Vc	1.357	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 3-methoxy-«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

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