- InChI
- InChI=1S/C32H66O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(33)34-35(5,6)32(2,3)4/h7-30H2,1-6H3
- InChI Key
- OFXNWQJLALARIZ-UHFFFAOYSA-N
- Formula
- C32H66O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)
O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 510.95
- Other Names
-
- tert-Butyl(dimethyl)silyl hexacosanoate
- Hexacosanoic acid, TBDMS
- Cerotic acid, TBDMS
- Hexacosanoic 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.
- 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 | 1.2960 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1108.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.917 | Crippen Calculated Property | |
| Inp | [3286.00; 3287.00] |
|
|
| Inp | 3286.00 | NIST | |
| Inp | 3287.00 | NIST | |
| Tboil | 658.56 | K | Relay (1.0) Calculated Property |
| Tc | 862.79 | K | Relay (1.0) Calculated Property |
| Tfus | 322.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.909 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosanoic 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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