- InChI
- InChI=1S/C26H44O4Si2/c1-17-14-26-15-18(17)10-11-19(26)24(2)12-9-13-25(16-28-31(3,4)5)21(24)20(29-23(25)27)22(26)30-32(6,7)8/h18-22H,1,9-16H2,2-8H3/t18-,19?,20-,21?,22+,24+,25+,26+/m0/s1
- InChI Key
- FWLTZWXTXRQSBU-MTHCWVPTSA-N
- Formula
- C26H44O4Si2
- SMILES
-
C=C1CC23CC1CCC2C1(C)CCCC2(CO[S
i](C)(C)C)C(=O)OC(C21)C3O[Si]( C)(C)C - Molecular Weight1
- 476.80
- 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 | 0.6404 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -983.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.152 | Crippen Calculated Property | |
| Pc | 166.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2645.00 | NIST | |
| Tboil | 704.72 | K | Relay (1.0) Calculated Property |
| Tc | 974.95 | K | Relay (1.0) Calculated Property |
| Tfus | 370.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.478 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7«beta»,18-diOH-kaurenolide, 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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