- InChI
- InChI=1S/C18H28O3Si/c1-17(2,3)22(18(4,5)6)20-15-10-12-8-7-9-14(19)13(12)11-16(15)21-22/h7-9,15-16,19H,10-11H2,1-6H3
- InChI Key
- STDRGROWMFMIQN-UHFFFAOYSA-N
- Formula
- C18H28O3Si
- SMILES
-
CC(C)(C)[Si]1(C(C)(C)C)OC2Cc3c
ccc(O)c3CC2O1 - Molecular Weight1
- 320.50
- 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 | 0.6408 | Relay (... Calculated Property | |
| ΔfG° | -86.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -571.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.32 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -3.86 | Relay (... Calculated Property | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| Pc | 2027.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2200.00; 2200.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Tboil | 614.64 | K | Relay (... Calculated Property |
| Tc | 896.74 | K | Relay (... Calculated Property |
| Tfus | 424.66 | K | Relay (... Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Tetralinetriol, 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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