- InChI
- InChI=1S/C21H44O4Si2/c1-20(2,3)26(7,8)24-18(22)16-14-12-11-13-15-17-19(23)25-27(9,10)21(4,5)6/h11-17H2,1-10H3
- InChI Key
- VVOJIMXLEIRYGX-UHFFFAOYSA-N
- Formula
- C21H44O4Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)CCCCCC
CC(=O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 416.74
- CAS
- 104255-97-2
- Other Names
-
- Azelaic acid, bis(tert-butyldimethylsilyl) ester
- Azelaic acid, diTBDMS
- Nonanedioic acid, bis-TBDMS ester
- Nonanedioic acid, TBDMS
- Bis[tert-butyl(dimethyl)silyl] azelaate
- Azelaic acid, 2tbdms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9029 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1274.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.814 | Crippen Calculated Property | |
| Pc | 1079.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2263.10; 2278.00] |
|
|
| Inp | 2278.00 | NIST | |
| Inp | 2263.10 | NIST | |
| Inp | 2272.47 | NIST | |
| Inp | 2272.47 | NIST | |
| Tboil | 582.35 | K | Relay (1.0) Calculated Property |
| Tc | 799.43 | K | Relay (1.0) Calculated Property |
| Tfus | 344.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nonanedioic 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
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