- InChI
- InChI=1S/C29H48O10Si3/c1-15-21(30)33-16-14-26-19-17(37-40(5,6)7)18(25(2,3)4)27(26)20(38-41(8,9)10)22(31)35-24(27)36-29(26,23(32)34-19)28(15,16)39-42(11,12)13/h15-20,24H,14H2,1-13H3
- InChI Key
- AKKPFRHBJGSCHR-UHFFFAOYSA-N
- Formula
- C29H48O10Si3
- SMILES
-
CC1C(=O)OC2CC34C5OC(=O)C3(OC3O
C(=O)C(O[Si](C)(C)C)C34C(C(C)( C)C)C5O[Si](C)(C)C)C21O[Si](C) (C)C - Molecular Weight1
- 640.94
- 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 | 0.8192 | Relay (... Calculated Property | |
| ΔfG° | -988.23 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1973.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.99 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -4.40 | Relay (... Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| Pc | -485.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3133.70; 3133.70] |
|
|
| Inp | 3133.70 | NIST | |
| Inp | 3133.70 | NIST | |
| Tboil | 707.17 | K | Relay (... Calculated Property |
| Tc | 1045.84 | K | Relay (... Calculated Property |
| Tfus | 377.78 | K | Relay (... Calculated Property |
| Vc | 1.902 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ginkgolide J 3TMS.
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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