- InChI
- InChI=1S/C20H40O2Si/c1-19(2,3)23(20(4,5)6)21-17-15-13-11-9-7-8-10-12-14-16-18(17)22-23/h17-18H,7-16H2,1-6H3
- InChI Key
- RLPUWUWWCZGDJU-UHFFFAOYSA-N
- Formula
- C20H40O2Si
- SMILES
-
CC(C)(C)[Si]1(C(C)(C)C)OC2CCCC
CCCCCCC2O1 - Molecular Weight1
- 340.62
- 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 | 0.4446 | Relay (... Calculated Property | |
| ΔfG° | 8.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -703.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.59 | eV | Relay (... Calculated Property |
| log10WS | -5.83 | Relay (... Calculated Property | |
| logPoct/wat | 6.727 | Crippen Calculated Property | |
| Pc | 1124.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2140.00; 2140.00] |
|
|
| Inp | 2140.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Tboil | 631.57 | K | Relay (... Calculated Property |
| Tc | 851.28 | K | Relay (... Calculated Property |
| Tfus | 379.73 | K | Relay (... Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclododecanediol, 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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