Chemical Properties of 2-Methoxyphenylpropionic acid, trimethylsilyl ester (CAS 27750-54-5)

InChI

InChI=1S/C13H20O3Si/c1-15-12-8-6-5-7-11(12)9-10-13(14)16-17(2,3)4/h5-8H,9-10H2,1-4H3

InChI Key

DCZUUHAXBALCCL-UHFFFAOYSA-N

Formula

C13H20O3Si

SMILES

COc1ccccc1CCC(=O)O[Si](C)(C)C

Molecular Weight¹

252.38

CAS

27750-54-5

Other Names

• (2-Methoxyphenyl)propionic acid, TMS
• Trimethylsilyl 3-(2-methoxyphenyl)propanoate
• Hydrocinnamic acid, o-methoxy-, trimethylsilyl ester
• Benzenepropanoic acid, 2-methoxy, trimethylsilyl ester
• 3-(2-Methoxyphenyl)propanoic acid, tms 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	0.6328		Relay (... Calculated Property
ΔfG°	-197.39	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-621.28	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.35	kJ/mol	Relay (... Calculated Property
IE	8.36	eV	Relay (... Calculated Property
log10WS	-2.66		Relay (... Calculated Property
logPoct/wat	3.006		Crippen Calculated Property
Pc	1620.29	kPa	Relay (... Calculated Property ⚠️
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	560.15	K	Relay (... Calculated Property
Tc	742.52	K	Relay (... Calculated Property
Tfus	291.36	K	Relay (... Calculated Property
Vc	0.781	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxyphenylpropionic acid, 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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