- InChI
- InChI=1S/C28H48O6Si2/c1-17-15-28-16-18(17)19(33-35(6,7)8)14-20(28)26(2)13-12-21(34-36(9,10)11)27(3,25(30)32-5)23(26)22(28)24(29)31-4/h18-23H,1,12-16H2,2-11H3/t18?,19-,20+,21+,22-,23?,26+,27-,28+/m0/s1
- InChI Key
- RUQHTXLJSAGIIL-ZNIXGMTDSA-N
- Formula
- C28H48O6Si2
- SMILES
-
C=C1CC23CC1C(O[Si](C)(C)C)CC2C
1(C)CCC(O[Si](C)(C)C)C(C)(C(=O )OC)C1C3C(=O)OC - Molecular Weight1
- 536.85
- 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 | 0.7122 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1304.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.798 | Crippen Calculated Property | |
| Pc | 11.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tboil | 683.71 | K | Relay (1.0) Calculated Property |
| Tc | 965.00 | K | Relay (1.0) Calculated Property |
| Tfus | 361.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.599 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 12-«beta»-Hydroxy-GA14, 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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