Chemical Properties of Heptanedioic acid, bis(tert-butyldimethylsilyl) ester (CAS 104255-95-0)

InChI

InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)22-16(20)14-12-11-13-15-17(21)23-25(9,10)19(4,5)6/h11-15H2,1-10H3

InChI Key

BBMNMSUSTQGVGW-UHFFFAOYSA-N

Formula

C19H40O4Si2

SMILES

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

Molecular Weight¹

388.69

CAS

104255-95-0

Other Names

• Pimelic acid, bis(tert-butyldimethylsilyl) ester
• Pimelic acid, diTBDMS
• Pimelic acid, DMTBS
• Pimelic acid, TBDMS
• Bis[tert-butyl(dimethyl)silyl] pimelate
• Heptanedioic 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°	77.01	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	6.034		Crippen Calculated Property
Pc	1248.69	kPa	Relay (1.0-beta) Calculated Property
Inp	[2059.80; 2071.00]
Inp	2071.00		NIST
Inp	2059.80		NIST
Inp	2066.00		NIST
Inp	2070.00		NIST
Inp	2059.80		NIST
Inp	2066.00		NIST
Inp	2071.00		NIST
Tboil	566.14	K	Relay (1.0) Calculated Property
Tc	784.45	K	Relay (1.0) Calculated Property
Tfus	336.72	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 Heptanedioic 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.
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