- InChI
- InChI=1S/C28H58O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h7-26H2,1-6H3
- InChI Key
- SDPDGJZCAWSAFE-UHFFFAOYSA-N
- Formula
- C28H58O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)O[Si
](C)(C)C(C)(C)C - Molecular Weight1
- 454.84
- CAS
- 104255-84-7
- Other Names
-
- Behenic acid, tert-butyldimethylsilyl ester
- Behenic acid, TBDMS
- Behenic acid, tbdms 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 | 1.1554 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1024.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.357 | Crippen Calculated Property | |
| Pc | 313.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2894.00; 2909.70] |
|
|
| Inp | 2909.70 | NIST | |
| Inp | 2894.00 | NIST | |
| Inp | 2909.70 | NIST | |
| Tboil | 632.62 | K | Relay (1.0) Calculated Property |
| Tc | 836.56 | K | Relay (1.0) Calculated Property |
| Tfus | 314.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.689 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid, 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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