- InChI
- InChI=1S/C27H50O4Si2/c1-24-14-10-15-25(2,23(28)29-3)21(24)13-16-26-17-20(11-12-22(24)26)27(18-26,31-33(7,8)9)19-30-32(4,5)6/h20-22H,10-19H2,1-9H3/t20?,21-,22-,24+,25+,26-,27-/m0/s1
- InChI Key
- AJCAYGRCFMZFJN-NPOPJQMWSA-N
- Formula
- C27H50O4Si2
- SMILES
-
COC(=O)C1(C)CCCC2(C)C3CCC4CC3(
CCC12)CC4(CO[Si](C)(C)C)O[Si]( C)(C)C - Molecular Weight1
- 494.85
- 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 | 0.6883 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1094.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.014 | Crippen Calculated Property | |
| Pc | 141.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2792.00; 2796.00] |
|
|
| Inp | 2792.00 | NIST | |
| Inp | 2796.00 | NIST | |
| Tboil | 678.94 | K | Relay (1.0) Calculated Property |
| Tc | 944.51 | K | Relay (1.0) Calculated Property |
| Tfus | 371.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.577 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to ent-16«beta»,17-(OH)2 KA, MeTMS.
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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