Chemical Properties of Butyric acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C10H22O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-8H2,1-6H3

InChI Key

LYRXFUFOQFNGPJ-UHFFFAOYSA-N

Formula

C10H22O2Si

SMILES

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

Molecular Weight¹

202.37

Other Names

• tert-Butyl(dimethyl)silyl butyrate
• Butanoic acid, TBDMS
• Butanoic acid, DMTBS
• Butyric acid, TBDMS
• Butyric acid, tbdms derivative

• ω : Acentric Factor.
• 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.
• I : 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	0.4953		Relay (1.0) Calculated Property
ΔfH°gas	-666.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-2.38		Relay (1.0) Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
Pc	2091.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[1074.00; 1103.00]
Inp	1098.90		NIST
Inp	1098.00		NIST
Inp	1097.00		NIST
Inp	Outlier 1074.00		NIST
Inp	1103.00		NIST
Inp	1097.00		NIST
I	1200.00		NIST
Tboil	457.09	K	Relay (1.0) Calculated Property
Tc	647.33	K	Relay (1.0) Calculated Property
Tfus	247.83	K	Relay (1.0) Calculated Property
Vc	0.670	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Butyric acid, tert-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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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