- InChI
- InChI=1S/C28H48O7Si3/c1-17-14-26-15-18(17)12-13-20(26)27-16-19(33-36(3,4)5)23(34-37(6,7)8)28(25(30)32-27,35-38(9,10)11)22(27)21(26)24(29)31-2/h18-23H,1,12-16H2,2-11H3/t18?,19-,20-,21-,22+,23+,26+,27-,28-/m0/s1
- InChI Key
- CUVRUBQOMOAVCV-IDCUGVNISA-N
- Formula
- C28H48O7Si3
- SMILES
-
C=C1CC23CC1CCC2C12CC(O[Si](C)(
C)C)C(O[Si](C)(C)C)C(O[Si](C)( C)C)(C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 580.93
- 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 | 0.7422 | Relay (... Calculated Property | |
| ΔfG° | -524.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1499.47 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.57 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -4.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.498 | Crippen Calculated Property | |
| Pc | -342.53 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2710.00 | NIST | |
| Tboil | 706.15 | K | Relay (... Calculated Property |
| Tc | 990.52 | K | Relay (... Calculated Property |
| Tfus | 365.01 | K | Relay (... Calculated Property |
| Vc | 1.743 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 18-OH-GA47 methyl ester 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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