- InChI
- InChI=1S/C36H74O4Si4/c1-26(17-16-22-37-41(4,5)6)29-18-19-30-34-31(25-33(36(29,30)3)40-44(13,14)15)35(2)21-20-28(38-42(7,8)9)23-27(35)24-32(34)39-43(10,11)12/h26-34H,16-25H2,1-15H3/t26-,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-/m0/s1
- InChI Key
- SQXKEDIKDUJREO-RBZSKFLVSA-N
- Formula
- C36H74O4Si4
- SMILES
-
CC(CCCO[Si](C)(C)C)C1CCC2C3C(O
[Si](C)(C)C)CC4CC(O[Si](C)(C)C )CCC4(C)C3CC(O[Si](C)(C)C)C12C - Molecular Weight1
- 683.31
- 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 | 0.8713 | Relay (... Calculated Property | |
| ΔfG° | -55.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1422.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 121.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -7.92 | Relay (... Calculated Property | |
| logPoct/wat | 10.793 | Crippen Calculated Property | |
| Pc | -977.21 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3260.00 | NIST | |
| Tboil | 747.32 | K | Relay (... Calculated Property |
| Tc | 1006.01 | K | Relay (... Calculated Property |
| Tfus | 357.85 | K | Relay (... Calculated Property |
| Vc | 2.257 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5B-Cholane-3A,7A,12A,24-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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