- InChI
- InChI=1S/C21H28O5Si2/c1-13-9-16(22)20-17(24-13)11-14-10-15(23-2)12-18(25-27(3,4)5)19(14)21(20)26-28(6,7)8/h9-12H,1-8H3
- InChI Key
- DVEPMJQSEIXHPX-UHFFFAOYSA-N
- Formula
- C21H28O5Si2
- SMILES
-
COc1cc(O[Si](C)(C)C)c2c(O[Si](
C)(C)C)c3c(=O)cc(C)oc3cc2c1 - Molecular Weight1
- 416.62
- 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 | 0.9067 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -838.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.691 | Crippen Calculated Property | |
| Pc | 341.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2638.00; 2638.00] |
|
|
| Inp | 2638.00 | NIST | |
| Inp | 2638.00 | NIST | |
| Tboil | 717.64 | K | Relay (1.0) Calculated Property |
| Tc | 983.86 | K | Relay (1.0) Calculated Property |
| Tfus | 401.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rubrofusarin, 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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