- InChI
- InChI=1S/C24H32O7Si2/c1-13-11-14-17(23(29-4)21(13)30-32(5,6)7)20(26)18-15(19(14)25)12-16(27-2)22(28-3)24(18)31-33(8,9)10/h11-12H,1-10H3
- InChI Key
- PDKPQQCHHOQIMO-UHFFFAOYSA-N
- Formula
- C24H32O7Si2
- SMILES
-
COc1cc2c(c(O[Si](C)(C)C)c1OC)C
(=O)c1c(cc(C)c(O[Si](C)(C)C)c1 OC)C2=O - Molecular Weight1
- 488.68
- 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 | 1.1032 | Relay (1.0) Calculated Property | |
| ΔfG° | -579.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1123.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.224 | Crippen Calculated Property | |
| Pc | -107.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3080.00 | NIST | |
| Tboil | 722.74 | K | Relay (1.0) Calculated Property |
| Tc | 1025.59 | K | Relay (1.0) Calculated Property |
| Tfus | 429.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Obtusin, 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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