- InChI
- InChI=1S/C30H58O3Si3/c1-21(31-34(4,5)6)28-27(33-36(10,11)12)20-26-24-14-13-22-19-23(32-35(7,8)9)15-17-29(22,2)25(24)16-18-30(26,28)3/h13,21,23-28H,14-20H2,1-12H3/t21-,23+,24?,25?,26?,27+,28-,29-,30-/m1/s1
- InChI Key
- MZONKYFRXIRMRD-NSWNDTRVSA-N
- Formula
- C30H58O3Si3
- SMILES
-
CC(O[Si](C)(C)C)C1C(O[Si](C)(C
)C)CC2C3CC=C4CC(O[Si](C)(C)C)C CC4(C)C3CCC21C - Molecular Weight1
- 551.04
- 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 | 0.6610 | Relay (... Calculated Property | |
| ΔfG° | 36.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1009.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -6.59 | Relay (... Calculated Property | |
| logPoct/wat | 8.856 | Crippen Calculated Property | |
| Pc | -362.81 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2871.00; 2872.00] |
|
|
| Inp | 2871.00 | NIST | |
| Inp | 2872.00 | NIST | |
| Inp | 2872.00 | NIST | |
| Inp | 2871.00 | NIST | |
| Tboil | 690.95 | K | Relay (... Calculated Property |
| Tc | 938.92 | K | Relay (... Calculated Property |
| Tfus | 393.98 | K | Relay (... Calculated Property |
| Vc | 1.797 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnene-3«alpha»,16«alpha»,20«alpha»-triol, EO-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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