Chemical Properties of Benzenepropanoic acid, trimethylsilyl ester (CAS 21273-15-4)

InChI

InChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3

InChI Key

GRONVOGSDOJOMG-UHFFFAOYSA-N

Formula

C12H18O2Si

SMILES

C[Si](C)(C)OC(=O)CCc1ccccc1

Molecular Weight¹

222.36

CAS

21273-15-4

Other Names

• Hydrocinnamic acid, trimethylsilyl ester
• Trimethylsilyl 3-phenylpropanoate
• Dihydrocinnamic acid, TMS
• Dihydrocinnamic (benzenepropanoic) acid, TMS
• Benzenepropanoic acid, tms derivative

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	70.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-2.68		Relay (1.0) Calculated Property
logPoct/wat	2.997		Crippen Calculated Property
Pc	1832.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[1397.00; 1414.00]
Inp	1414.00		NIST
Inp	1397.00		NIST
Inp	1397.00		NIST
Inp	1414.00		NIST
Tboil	524.64	K	Relay (1.0) Calculated Property
Tfus	246.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Benzenepropanoic 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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