Chemical Properties of 1,14-Tetradecandioic acid , bis(trimethylsilyl) ester (CAS 139432-41-0)

InChI

InChI=1S/C20H42O4Si2/c1-25(2,3)23-19(21)17-15-13-11-9-7-8-10-12-14-16-18-20(22)24-26(4,5)6/h7-18H2,1-6H3

InChI Key

OCCHGMDNQHGUHB-UHFFFAOYSA-N

Formula

C20H42O4Si2

SMILES

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

Molecular Weight¹

402.72

CAS

139432-41-0

Other Names

• 1,14-Tetradecandioic acid, di-TMS
• Tetradecanedioic acid, bis-TMS
• Tetradecanedioic acid, bis(trimethylsilyl) ester
• Tetradecanedioic acid, 2tms derivative

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	-1280.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	6.424		Crippen Calculated Property
Pc	484.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[2269.00; 2305.00]
Inp	2277.00		NIST
Inp	2269.00		NIST
Inp	2277.00		NIST
Inp	2305.00		NIST
Tboil	591.55	K	Relay (1.0) Calculated Property
Tc	768.53	K	Relay (1.0) Calculated Property
Tfus	307.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 1,14-Tetradecandioic acid , bis(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

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