- InChI
- InChI=1S/C26H44O6Si2/c1-23-12-9-13-26(31-22(23)28)18-11-10-17-14-24(18,19(20(23)26)21(27)29-2)15-25(17,32-34(6,7)8)16-30-33(3,4)5/h17-20H,9-16H2,1-8H3/t17?,18?,19-,20-,23-,24-,25+,26-/m0/s1
- InChI Key
- HKUXFHDRFYHPMJ-AYVYTBEBSA-N
- Formula
- C26H44O6Si2
- SMILES
-
COC(=O)C1C2C3(C)CCCC2(OC3=O)C2
CCC3CC12CC3(CO[Si](C)(C)C)O[Si ](C)(C)C - Molecular Weight1
- 508.80
- 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 | 0.7297 | Relay (1.0) Calculated Property | |
| ΔfG° | -434.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1322.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.139 | Crippen Calculated Property | |
| Pc | 152.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2769.00; 2771.00] |
|
|
| Inp | 2769.00 | NIST | |
| Inp | 2771.00 | NIST | |
| Tboil | 691.16 | K | Relay (1.0) Calculated Property |
| Tc | 978.72 | K | Relay (1.0) Calculated Property |
| Tfus | 367.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.549 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 16«alpha»,17-H2(OH)2 GA9, 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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