- InChI
- InChI=1S/C28H46O7Si2/c1-17-14-28-15-18(17)19(34-36(5,6)7)13-20(28)27(16-29)12-11-21(35-37(8,9)10)26(2,25(31)33-4)23(27)22(28)24(30)32-3/h16,18-23H,1,11-15H2,2-10H3/t18?,19-,20-,21-,22+,23?,26+,27+,28-/m1/s1
- InChI Key
- FUMVTFXLMVFXIE-JYTRMOLLSA-N
- Formula
- C28H46O7Si2
- SMILES
-
C=C1CC23CC1C(O[Si](C)(C)C)CC2C
1(C=O)CCC(O[Si](C)(C)C)C(C)(C( =O)OC)C1C3C(=O)OC - Molecular Weight1
- 550.83
- 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 | 0.7386 | Relay (1.0) Calculated Property | |
| ΔfG° | -387.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1376.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.976 | Crippen Calculated Property | |
| Pc | 29.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 700.74 | K | Relay (1.0) Calculated Property |
| Tc | 991.96 | K | Relay (1.0) Calculated Property |
| Tfus | 368.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.586 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 12-«alpha»-Hydroxy-GA36, 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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