Chemical Properties of 2-Propenoic acid, 2-[(trimethylsilyl)oxy]-3-[4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester (CAS 27750-74-9)

InChI

InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-14H,1-9H3/b17-14-

InChI Key

GCMMRXIKMJUULM-VKAVYKQESA-N

Formula

C18H32O4Si3

SMILES

C[Si](C)(C)OC(=O)C(=Cc1ccc(O[Si](C)(C)C)cc1)O[Si](C)(C)C

Molecular Weight¹

396.70

CAS

27750-74-9

Other Names

• Cinnamic acid, «alpha»,p-bis(trimethylsiloxy)-, trimethylsilyl ester
• Pyruvic acid, (p-trimethylsiloxy)phenyl-, trimethylsilyl ester
• Trimethylsilyl 2-[(trimethylsilyl)oxy]-3-(4-[(trimethylsilyl)oxy]phenyl)-2-propenoate
• 4-Hydroxyphenylpyruvic acid, (3TMS)
• Phenylpyruvic acid, 4-hydroxy, tris-TMS
• Trimethylsilyl-2-[(trimethylsilyl)oxy]-3-(4-[(trimethylsilyl)oxy]phenyl)acrylate
• Phenylpyruvic acid, 4-hydroxy, TMS
• 4-Hydroxyphenylpyruvic acid, enol, tri-TMS
• 4-Hydroxyphenylpyruvic acid, TMS
• Trimethylsilyl-2-[(trimethylsilyl)oxy]-3-{4-[(trimethylsilyl)oxy]phenyl}acrylate

• 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	0.7824		Relay (... Calculated Property
ΔfG°	-262.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-989.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.94	kJ/mol	Relay (... Calculated Property
IE	8.38	eV	Relay (... Calculated Property
log10WS	-4.25		Relay (... Calculated Property
logPoct/wat	5.471		Crippen Calculated Property
Pc	604.70	kPa	Relay (... Calculated Property ⚠️
Inp	[2034.80; 2076.00]
Inp	2061.00		NIST
Inp	2067.00		NIST
Inp	2063.00		NIST
Inp	2034.80		NIST
Inp	2059.00		NIST
Inp	2076.00		NIST
Inp	2034.80		NIST
Inp	2076.00		NIST
Inp	2061.00		NIST
Tboil	612.14	K	Relay (... Calculated Property
Tc	796.63	K	Relay (... Calculated Property
Tfus	351.27	K	Relay (... Calculated Property
Vc	1.264	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-[(trimethylsilyl)oxy]-3-[4-[(trimethylsilyl)oxy]phenyl]-, 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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