- InChI
- InChI=1S/C31H64O2Si/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(32)33-34(5,6)31(2,3)4/h7-29H2,1-6H3
- InChI Key
- NDUSLJLZSHVMFW-UHFFFAOYSA-N
- Formula
- C31H64O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
[Si](C)(C)C(C)(C)C - Molecular Weight1
- 496.92
- Other Names
-
- tert-Butyl(dimethyl)silyl pentacosanoate
- Pentacosanoic acid, TBDMS
- 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).
- 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 | 1.2608 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1087.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.527 | Crippen Calculated Property | |
| Pc | 74.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 652.13 | K | Relay (1.0) Calculated Property |
| Tc | 856.44 | K | Relay (1.0) Calculated Property |
| Tfus | 320.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.854 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosanoic 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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