- InChI
- InChI=1S/C33H66O4Si4/c1-24(34-38(4,5)6)33(37-41(13,14)15)23-29(36-40(10,11)12)30-27-17-16-25-22-26(35-39(7,8)9)18-20-31(25,2)28(27)19-21-32(30,33)3/h16,24,26-30H,17-23H2,1-15H3/t24-,26-,27?,28?,29+,30?,31-,32-,33-/m1/s1
- InChI Key
- ISLSOODKDGSAJC-RYQWTPGRSA-N
- Formula
- C33H66O4Si4
- SMILES
-
CC(O[Si](C)(C)C)C1(O[Si](C)(C)
C)CC(O[Si](C)(C)C)C2C3CC=C4CC( O[Si](C)(C)C)CCC4(C)C3CCC21C - Molecular Weight1
- 639.22
- Other Names
-
- 5-Pregnen-3-«beta»,15-«beta»,17-«alpha»,20-«alpha»-tetrol, MeTMS
- 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 | 0.7460 | Relay (... Calculated Property | |
| ΔfG° | -59.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1274.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -6.79 | Relay (... Calculated Property | |
| logPoct/wat | 9.830 | Crippen Calculated Property | |
| Pc | -737.24 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3058.00; 3058.00] |
|
|
| Inp | 3058.00 | NIST | |
| Inp | 3058.00 | NIST | |
| Tboil | 713.00 | K | Relay (... Calculated Property |
| Tc | 958.60 | K | Relay (... Calculated Property |
| Tfus | 382.36 | K | Relay (... Calculated Property |
| Vc | 2.089 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3-«beta»,15-«beta»,17-«alpha»,20-«alpha»-tetrol, 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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