- InChI
- InChI=1S/C33H60O2Si2/c1-24(13-12-20-31(2,3)35-37(9,10)11)28-16-17-29-27-15-14-25-23-26(34-36(6,7)8)18-21-32(25,4)30(27)19-22-33(28,29)5/h18,23-24,27-30H,12-17,19-22H2,1-11H3/t24-,27?,28?,29?,30?,32?,33?/m1/s1
- InChI Key
- PVFLZIUPQZDUOQ-QFNPUPBCSA-N
- Formula
- C33H60O2Si2
- SMILES
-
CC(CCCC(C)(C)O[Si](C)(C)C)C1CC
C2C3CCC4=CC(O[Si](C)(C)C)=CCC4 (C)C3CCC12C - Molecular Weight1
- 545.00
- 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 | 0.7418 | Relay (... Calculated Property | |
| ΔfG° | 159.97 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -849.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -7.92 | Relay (... Calculated Property | |
| logPoct/wat | 10.347 | Crippen Calculated Property | |
| Pc | -372.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3470.00 | NIST | |
| Tboil | 700.50 | K | Relay (... Calculated Property |
| Tc | 960.89 | K | Relay (... Calculated Property |
| Tfus | 386.71 | K | Relay (... Calculated Property |
| Vc | 1.800 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 25-Hydroxy-4-cholesten-3-one, enol-bis-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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