- InChI
- InChI=1S/C21H46O5Si3/c1-27(2,3)24-19(18-21(23)26-29(7,8)9)16-14-12-10-11-13-15-17-20(22)25-28(4,5)6/h19H,10-18H2,1-9H3
- InChI Key
- CEEATCPCGFSGDV-UHFFFAOYSA-N
- Formula
- C21H46O5Si3
- SMILES
-
C[Si](C)(C)OC(=O)CCCCCCCCC(CC(
=O)O[Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 462.84
- CAS
- 81089-39-6
- Other Names
-
- 3-Hydroxydodecadienoic acid, tri-TMS
- 3-Hydroxydodecanedioic acid, tri-TMS
- Dodecanedioic acid, 3-hydroxy, TMS ether, bis-TMS ester
- Dodecanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
- Dodecanedioic acid, 3-hydroxy, TMS
- 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 | 0.9887 | Relay (1.0) Calculated Property | |
| ΔfG° | -454.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1515.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.474 | Crippen Calculated Property | |
| Pc | 225.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2231.00; 2277.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2277.00 | NIST | |
| Inp | 2231.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Tboil | 593.00 | K | Relay (1.0) Calculated Property |
| Tc | 765.59 | K | Relay (1.0) Calculated Property |
| Tfus | 277.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.575 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxydodecanedioic acid, tris(O-trimethylsilyl).
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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