Chemical Properties of Pentadecanoic acid, tert-butyldimethylsilyl ester (CAS 104255-80-3)

InChI

InChI=1S/C21H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)23-24(5,6)21(2,3)4/h7-19H2,1-6H3

InChI Key

DHOAONBYKUBKBP-UHFFFAOYSA-N

Formula

C21H44O2Si

SMILES

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

Molecular Weight¹

356.66

CAS

104255-80-3

Other Names

• Pentadecanoic acid, TBDMS
• Pentadecanoic acid, DMTBS
• tert-Butyl(dimethyl)silyl pentadecanoate
• Pentadecanoic acid, tbdms derivative

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-882.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-6.78		Relay (1.0) Calculated Property
logPoct/wat	7.626		Crippen Calculated Property
Pc	882.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[2174.00; 2186.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Inp	2181.20		NIST
Inp	2184.00		NIST
Inp	2186.00		NIST
Inp	Outlier 2174.00		NIST
Tboil	583.29	K	Relay (1.0) Calculated Property
Tc	787.30	K	Relay (1.0) Calculated Property
Tfus	288.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 Pentadecanoic 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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