Chemical Properties of Undecanoic acid, tert-butyldimethylsilyl ester (CAS 104255-75-6)

InChI

InChI=1S/C17H36O2Si/c1-7-8-9-10-11-12-13-14-15-16(18)19-20(5,6)17(2,3)4/h7-15H2,1-6H3

InChI Key

IJPQNIPLGFIDLM-UHFFFAOYSA-N

Formula

C17H36O2Si

SMILES

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

Molecular Weight¹

300.55

CAS

104255-75-6

Other Names

• Undecanoic acid, TBDMS
• Undecanoic acid, DMTBS
• Undecanoic 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	-802.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	6.066		Crippen Calculated Property
Pc	1251.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[1773.00; 1784.00]
Inp	1781.60		NIST
Inp	1782.00		NIST
Inp	1784.00		NIST
Inp	1773.00		NIST
Tboil	548.92	K	Relay (1.0) Calculated Property
Tc	749.66	K	Relay (1.0) Calculated Property
Tfus	267.40	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 Undecanoic 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

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