- InChI
- InChI=1S/C28H50O6Si2/c1-25-14-11-15-26(2,24(30)32-4)22(25)21(23(29)31-3)27-16-19(12-13-20(25)27)28(17-27,34-36(8,9)10)18-33-35(5,6)7/h19-22H,11-18H2,1-10H3/t19?,20-,21+,22-,25-,26+,27+,28-/m1/s1
- InChI Key
- ZZFWQNAQASSFEN-WIEZBTDDSA-N
- Formula
- C28H50O6Si2
- SMILES
-
COC(=O)C1C2C(C)(C(=O)OC)CCCC2(
C)C2CCC3CC12CC3(CO[Si](C)(C)C) O[Si](C)(C)C - Molecular Weight1
- 538.86
- Other Names
-
- 16«alpha», 17-H2 (OH)2 GA12, MeTMS
- 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 | 0.7644 | Relay (1.0) Calculated Property | |
| ΔfG° | -372.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1389.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.023 | Crippen Calculated Property | |
| Pc | 22.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2780.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Inp | 2784.00 | NIST | |
| Inp | 2785.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 684.43 | K | Relay (1.0) Calculated Property |
| Tc | 966.92 | K | Relay (1.0) Calculated Property |
| Tfus | 364.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.646 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 16«alpha»,17-H2(OH)2 GA12, MeTMSi.
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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