- InChI
- InChI=1S/C29H48O8Si2/c1-17-15-28-16-18(17)19(36-38(6,7)8)14-20(28)29(26(32)35-5)13-12-21(37-39(9,10)11)27(2,25(31)34-4)23(29)22(28)24(30)33-3/h18-23H,1,12-16H2,2-11H3/t18?,19-,20-,21+,22-,23?,27-,28+,29-/m0/s1
- InChI Key
- SLGPATXYODBIAO-OGHXHMLQSA-N
- Formula
- C29H48O8Si2
- SMILES
-
C=C1CC23CC1C(O[Si](C)(C)C)CC2C
1(C(=O)OC)CCC(O[Si](C)(C)C)C(C )(C(=O)OC)C1C3C(=O)OC - Molecular Weight1
- 580.86
- 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.
- 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 | 0.7873 | Relay (1.0) Calculated Property | |
| ΔfG° | -504.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1598.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.951 | Crippen Calculated Property | |
| Inp | 2791.00 | NIST | |
| Tboil | 701.16 | K | Relay (1.0) Calculated Property |
| Tc | 985.20 | K | Relay (1.0) Calculated Property |
| Tfus | 365.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.669 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 12-«beta»-Hydroxy-GA13, methyl ester, 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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