- InChI
- InChI=1S/C25H52O3Si/c1-8-23(28-29(6,7)25(2,3)4)21-19-17-15-13-11-9-10-12-14-16-18-20-22-24(26)27-5/h23H,8-22H2,1-7H3
- InChI Key
- ITIVONKKOYRISN-UHFFFAOYSA-N
- Formula
- C25H52O3Si
- SMILES
-
CCC(CCCCCCCCCCCCCCC(=O)OC)O[Si
](C)(C)C(C)(C)C - Molecular Weight1
- 428.76
- 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 | 1.0221 | Relay (... Calculated Property | |
| ΔfG° | -179.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1073.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -6.41 | Relay (... Calculated Property | |
| logPoct/wat | 8.421 | Crippen Calculated Property | |
| Pc | 599.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2645.00; 2645.00] |
|
|
| Inp | 2645.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Tboil | 622.88 | K | Relay (... Calculated Property |
| Tc | 817.70 | K | Relay (... Calculated Property |
| Tfus | 291.46 | K | Relay (... Calculated Property |
| Vc | 1.514 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 16-Hydroxy-stearic acid, methyl ester, tBDMS ether.
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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