- InChI
- InChI=1S/C39H74O4Si4/c1-28(17-20-35(42-46(11,12)13)29(2)27-40-44(5,6)7)32-18-19-33-37-34(22-24-39(32,33)4)38(3)23-21-31(41-45(8,9)10)25-30(38)26-36(37)43-47(14,15)16/h26,28,31-34H,17-25,27H2,1-16H3/b35-29-/t28-,31+,32-,33?,34?,38+,39-/m0/s1
- InChI Key
- FVZLXJKNOFHPED-RCWLVPAYSA-N
- Formula
- C39H74O4Si4
- SMILES
-
CC(CO[Si](C)(C)C)=C(CCC(C)C1CC
C2C3=C(O[Si](C)(C)C)C=C4CC(O[S i](C)(C)C)CCC4(C)C3CCC21C)O[Si ](C)(C)C - Molecular Weight1
- 719.34
- 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.
- 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 | 0.9136 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1309.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.278 | Crippen Calculated Property | |
| Inp | 3795.00 | NIST | |
| Tboil | 752.89 | K | Relay (1.0) Calculated Property |
| Tc | 1011.53 | K | Relay (1.0) Calculated Property |
| Tfus | 355.30 | K | Relay (1.0) Calculated Property |
| Vc | 2.342 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-«beta»,27-diol-17,22-dione, 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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