- InChI
- InChI=1S/C20H42O2Si/c1-8-9-10-11-12-13-14-15-16-18-17-21-23(22-18,19(2,3)4)20(5,6)7/h18H,8-17H2,1-7H3
- InChI Key
- JMOBCXSEIOKGFO-UHFFFAOYSA-N
- Formula
- C20H42O2Si
- SMILES
-
CCCCCCCCCCC1CO[Si](C(C)(C)C)(C
(C)(C)C)O1 - Molecular Weight1
- 342.63
- 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 | 0.7207 | Relay (... Calculated Property | |
| ΔfG° | -39.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -706.94 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.25 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -6.31 | Relay (... Calculated Property | |
| logPoct/wat | 6.975 | Crippen Calculated Property | |
| Pc | 1015.44 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2030.00; 2030.00] |
|
|
| Inp | 2030.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 582.61 | K | Relay (... Calculated Property |
| Tc | 784.20 | K | Relay (... Calculated Property |
| Tfus | 288.20 | K | Relay (... Calculated Property |
| Vc | 1.207 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dodecanediol, DTBS.
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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