- InChI
- InChI=1S/C26H44O4Si2/c1-17-15-25-16-26(17,30-32(7,8)9)14-11-18(25)23(2)12-10-13-24(3)20(23)19(28-22(24)27)21(25)29-31(4,5)6/h18-21H,1,10-16H2,2-9H3/t18?,19-,20?,21+,23+,24-,25+,26+/m1/s1
- InChI Key
- DFTIPRKZSFJGLY-DYSBLPFRSA-N
- Formula
- C26H44O4Si2
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)CCC2C
1(C)CCCC2(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 | 0.6313 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -982.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.295 | Crippen Calculated Property | |
| Pc | 262.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2672.00 | NIST | |
| Tboil | 689.07 | K | Relay (1.0) Calculated Property |
| Tc | 965.19 | K | Relay (1.0) Calculated Property |
| Tfus | 362.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.498 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7«beta»,13-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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