- InChI
- InChI=1S/C29H48O10Si3/c1-15-21(30)34-19-18(37-40(5,6)7)27-17-14-16(25(2,3)4)26(27)20(38-41(8,9)10)22(31)35-24(26)36-29(27,23(32)33-17)28(15,19)39-42(11,12)13/h15-20,24H,14H2,1-13H3
- InChI Key
- VNOSIJMUIAZKQL-UHFFFAOYSA-N
- Formula
- C29H48O10Si3
- SMILES
-
CC1C(=O)OC2C(O[Si](C)(C)C)C34C
5CC(C(C)(C)C)C36C(OC(=O)C6O[Si ](C)(C)C)OC4(C(=O)O5)C12O[Si]( C)(C)C - Molecular Weight1
- 640.94
- CAS
- 480427-39-2
- 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 | 0.8127 | Relay (... Calculated Property | |
| ΔfG° | -993.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1974.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -4.54 | Relay (... Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| Pc | -517.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3190.30; 3259.00] |
|
|
| Inp | 3211.00 | NIST | |
| Inp | 3235.00 | NIST | |
| Inp | 3259.00 | NIST | |
| Inp | 3190.30 | NIST | |
| Inp | 3190.30 | NIST | |
| Inp | 3211.00 | NIST | |
| Tboil | 700.35 | K | Relay (... Calculated Property |
| Tc | 1050.68 | K | Relay (... Calculated Property |
| Tfus | 378.87 | K | Relay (... Calculated Property |
| Vc | 1.898 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ginkgolide B, TMS ether.
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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