Chemical Properties of Benzeneacetic acid, trimethylsilyl ester (CAS 2078-18-4)

InChI

InChI=1S/C11H16O2Si/c1-14(2,3)13-11(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChI Key

WWCXSUHALKENOU-UHFFFAOYSA-N

Formula

C11H16O2Si

SMILES

C[Si](C)(C)OC(=O)Cc1ccccc1

Molecular Weight¹

208.33

CAS

2078-18-4

Other Names

• Acetic acid, phenyl-, trimethylsilyl ester
• Benzeneacetic acid, tms derivative
• Phenylacetic acid, monoTMS
• Phenylacetic acid, trimethylsilyl ester
• Trimethylsilyl phenylacetate

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-454.19	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.607		Crippen Calculated Property
Pc	1982.83	kPa	Relay (1.0-beta) Calculated Property
Inp	[1273.00; 1305.00]
Inp	1303.00		NIST
Inp	1273.00		NIST
Inp	1305.00		NIST
Inp	1279.00		NIST
Inp	1305.00		NIST
Inp	1277.00		NIST
Inp	1275.00		NIST
Inp	1275.00		NIST
Inp	1301.60		NIST
Inp	1282.00		NIST
Inp	1277.00		NIST
Inp	1295.00		NIST
Inp	1298.00		NIST
Inp	1302.00		NIST
Inp	1303.00		NIST
Inp	1277.00		NIST
Inp	1301.60		NIST
Inp	1295.00		NIST
Tboil	510.78	K	Relay (1.0) Calculated Property
Tfus	255.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 Benzeneacetic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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