Chemical Properties of Bis(dimethyl-t-butylsilyl) adipate (CAS 104255-94-9)

InChI

InChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-15(19)13-11-12-14-16(20)22-24(9,10)18(4,5)6/h11-14H2,1-10H3

InChI Key

PKYLRYVHBVWCFV-UHFFFAOYSA-N

Formula

C18H38O4Si2

SMILES

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

Molecular Weight¹

374.66

CAS

104255-94-9

Other Names

• Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
• Adipate, bis-TBDMS
• Adipic acid, diTBDMS
• Adipic acid, bis-TBDMS ester
• Adipic acid, bis(tert-butyldimethylsilyl) ester
• Adipic acid, TBDMS
• Adipate, TBDMS
• Adipic acid, DMTBS
• Adipic 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	75.21	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	5.644		Crippen Calculated Property
Pc	1343.69	kPa	Relay (1.0-beta) Calculated Property
Inp	[1948.00; 1967.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Inp	1964.00		NIST
Inp	1967.00		NIST
Inp	Outlier 1948.00		NIST
Inp	1964.00		NIST
Inp	1966.00		NIST
Tboil	558.51	K	Relay (1.0) Calculated Property
Tfus	339.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 Bis(dimethyl-t-butylsilyl) adipate.

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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