- InChI
- InChI=1S/C21H36O3Si2/c1-20(2,3)26(21(4,5)6)23-18-13-15-11-10-12-17(22-25(7,8)9)16(15)14-19(18)24-26/h10-12,18-19H,13-14H2,1-9H3
- InChI Key
- LKNCQPBOKVDBFA-UHFFFAOYSA-N
- Formula
- C21H36O3Si2
- SMILES
-
CC(C)(C)[Si]1(C(C)(C)C)OC2Cc3c
ccc(O[Si](C)(C)C)c3CC2O1 - Molecular Weight1
- 392.68
- 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 | 0.6291 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -716.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.825 | Crippen Calculated Property | |
| Pc | 796.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 629.23 | K | Relay (1.0) Calculated Property |
| Tc | 873.84 | K | Relay (1.0) Calculated Property |
| Tfus | 372.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Tetralinetriol, DTBS, 5-TMS.
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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