- InChI
- InChI=1S/C31H62O4Si4/c1-30-19-17-23(32-36(3,4)5)21-22(30)15-16-24-25(30)18-20-31(2)26(24)27(33-37(6,7)8)28(34-38(9,10)11)29(31)35-39(12,13)14/h15,23-29H,16-21H2,1-14H3/t23-,24?,25?,26?,27-,28-,29-,30-,31-/m1/s1
- InChI Key
- ATVUEGXZWOKVBT-ZBYVQVFHSA-N
- Formula
- C31H62O4Si4
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1=CCC1C
2CCC2(C)C(O[Si](C)(C)C)C(O[Si] (C)(C)C)C(O[Si](C)(C)C)C12 - Molecular Weight1
- 611.16
- 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 | 0.7138 | Relay (... Calculated Property | |
| ΔfG° | -69.52 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1240.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.69 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -6.73 | Relay (... Calculated Property | |
| logPoct/wat | 9.049 | Crippen Calculated Property | |
| Pc | -654.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3095.00 | NIST | |
| Tboil | 702.68 | K | Relay (... Calculated Property |
| Tc | 948.96 | K | Relay (... Calculated Property |
| Tfus | 369.65 | K | Relay (... Calculated Property |
| Vc | 1.993 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Androstene-3-«beta»,15-«beta»,16-«beta»,17-«beta»-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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