Chemical Properties of Propanoic acid, t-butyldimethylsilyl ester (CAS 111864-20-1)

InChI

InChI=1S/C9H20O2Si/c1-7-8(10)11-12(5,6)9(2,3)4/h7H2,1-6H3

InChI Key

WNORCYXNCTYGSE-UHFFFAOYSA-N

Formula

C9H20O2Si

SMILES

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

Molecular Weight¹

188.34

CAS

111864-20-1

Other Names

• Propanoic acid, DMTBS
• Propanoic acid, TBDMS
• Propanoic acid, tert-butyldimethylsilyl ester
• Propionic acid, TBDMS
• tert-Butyl(dimethyl)silyl propionate
• Propanoic acid, tbdms 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°	52.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	2.945		Crippen Calculated Property
Pc	2275.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[990.00; 1019.00]
Inp	1017.20		NIST
Inp	1015.00		NIST
Inp	1015.00		NIST
Inp	1017.00		NIST
Inp	Outlier 990.00		NIST
Inp	1019.00		NIST
Inp	1017.20		NIST
Tboil	444.56	K	Relay (1.0) Calculated Property
Tfus	259.87	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 Propanoic acid, t-butyldimethylsilyl 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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