- InChI
- InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
- InChI Key
- BJBBFOVJCKMBAL-UHFFFAOYSA-N
- Formula
- C25H52O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)O[Si
](C)(C)C - Molecular Weight1
- 412.76
- CAS
- 74367-36-5
- Other Names
-
- Behenic acid, trimethylsilyl ester
- Docosanoic acid, TMS ester
- Docosanoic acid, TMS
- Behenic acid, tms 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 | 1.1175 | Relay (... Calculated Property | |
| ΔfG° | -119.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -988.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.63 | kJ/mol | Relay (... Calculated Property |
| IE | 10.16 | eV | Relay (... Calculated Property |
| log10WS | -8.45 | Relay (... Calculated Property | |
| logPoct/wat | 9.186 | Crippen Calculated Property | |
| Pc | 194.83 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2632.00; 2649.00] |
|
|
| Inp | 2638.00 | NIST | |
| Inp | 2632.00 | NIST | |
| Inp | 2649.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Inp | 2638.00 | NIST | |
| Tboil | 620.67 | K | Relay (... Calculated Property |
| Tc | 800.02 | K | Relay (... Calculated Property |
| Tfus | 310.90 | K | Relay (... Calculated Property |
| Vc | 1.560 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid, trimethylsilyl 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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