Chemical Properties of Octanedioic acid, bis(tert-butyldimethylsilyl) ester (CAS 104255-96-1)

InChI

InChI=1S/C20H42O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16-18(22)24-26(9,10)20(4,5)6/h11-16H2,1-10H3

InChI Key

JADJIPYOCLEURF-UHFFFAOYSA-N

Formula

C20H42O4Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CCCCCCC(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

402.72

CAS

104255-96-1

Other Names

• Octanedioic acid, bis[(1,1-dimethylethyl)dimethylsilyl] ester
• Suberic acid, bis(tert-butyldimethylsilyl) ester
• Suberic acid, diTBDMS
• Suberic acid, bis-TBDMS ester
• Suberic acid, TBDMS
• Suberic acid, DMTBS
• Suberate, TBDMS
• Bis[tert-butyl(dimethyl)silyl] suberate
• Suberic acid, 2tbdms derivative

• 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
ΔvapH°	79.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	6.424		Crippen Calculated Property
Pc	1159.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[2157.00; 2174.00]
Inp	2174.00		NIST
Inp	2174.00		NIST
Inp	2161.30		NIST
Inp	2168.00		NIST
Inp	2171.00		NIST
Inp	2157.00		NIST
Inp	2168.00		NIST
Inp	2161.30		NIST
Inp	2174.00		NIST
Tboil	574.36	K	Relay (1.0) Calculated Property
Tc	793.01	K	Relay (1.0) Calculated Property
Tfus	337.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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 Octanedioic acid, bis(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.
These property values are available through the Cheméo API. A free account gives you an access key.