- InChI
- InChI=1S/C17H26O2Si/c1-16(2,3)20(17(4,5)6)18-14-11-12-9-7-8-10-13(12)15(14)19-20/h7-10,14-15H,11H2,1-6H3/t14-,15+/m1/s1
- InChI Key
- CZQZZACQVQCFKC-CABCVRRESA-N
- Formula
- C17H26O2Si
- SMILES
-
CC(C)(C)[Si]1(C(C)(C)C)OC2Cc3c
cccc3C2O1 - Molecular Weight1
- 290.47
- 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 | 0.4700 | Relay (... Calculated Property | |
| ΔfG° | 39.86 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -374.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -4.21 | Relay (... Calculated Property | |
| logPoct/wat | 4.742 | Crippen Calculated Property | |
| Pc | 1676.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1760.00 | NIST | |
| Tboil | 574.23 | K | Relay (... Calculated Property |
| Tc | 835.07 | K | Relay (... Calculated Property |
| Tfus | 375.82 | K | Relay (... Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,2-Indanediol, 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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