Chemical Properties of Hydrocinnamic acid, p-(trimethylsiloxy)-, trimethylsilyl ester (CAS 27750-62-5)

InChI

InChI=1S/C15H26O3Si2/c1-19(2,3)17-14-10-7-13(8-11-14)9-12-15(16)18-20(4,5)6/h7-8,10-11H,9,12H2,1-6H3

InChI Key

NTWRBVRZYOLGDK-UHFFFAOYSA-N

Formula

C15H26O3Si2

SMILES

C[Si](C)(C)OC(=O)CCc1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

310.54

CAS

27750-62-5

Other Names

• Trimethylsilyl 3-(4-[(trimethylsilyl)oxy]phenyl)propanoate
• 3-(4-Hydroxyphenyl)propionic acid, (2TMS)
• 3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ether, trimethylsilyl ester
• 4-Hydroxyhydrocinnamic acid, bis-TMS
• 4-Hydroxyphenylpropionic acid, di-TMS
• Benzenepropanoic acid, 4-hydroxy, bis-TMS
• Benzenepropanoic acid, 4-hydroxy, (2TMS)
• Propanoic acid, 3-(4-hydroxyphenyl), bis-TMS
• 3-(4-Hydroxyphenyl)propionic acid, TMS
• Benzenepropanoic acid, 4-trimethylsilyloxy, trimethylsilyl ester
• Benzenepropanoic acid, 4-hydroxy, TMS
• 4-Hydroxyhydrocinnamic acid, TMS
• 4-Hydroxyphenylpropionic acid, TMS
• Phloretic 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	0.6865		Relay (... Calculated Property
ΔfG°	-210.44	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-771.10	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.09	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-3.49		Relay (... Calculated Property
logPoct/wat	4.211		Crippen Calculated Property
Pc	1122.25	kPa	Relay (... Calculated Property ⚠️
Inp	[1750.00; 1763.00]
Inp	1752.00		NIST
Inp	1763.00		NIST
Inp	1750.00		NIST
Inp	1755.00		NIST
Inp	1750.10		NIST
Inp	1762.00		NIST
Inp	1754.00		NIST
Inp	1752.00		NIST
Inp	1762.00		NIST
Tboil	577.18	K	Relay (... Calculated Property
Tc	759.13	K	Relay (... Calculated Property
Tfus	293.77	K	Relay (... Calculated Property
Vc	1.005	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hydrocinnamic acid, p-(trimethylsiloxy)-, 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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