- InChI
- InChI=1S/C35H68O2Si2/c1-12-38(8,9)36-28-20-23-34(6)27(25-28)16-17-29-31-19-18-30(35(31,7)24-21-32(29)34)26(3)15-14-22-33(4,5)37-39(10,11)13-2/h26-32H,12-25H2,1-11H3/t26?,27-,28-,29?,30?,31?,32?,34?,35?/m1/s1
- InChI Key
- IQBYEROPYWHVNQ-YWZJEILASA-N
- Formula
- C35H68O2Si2
- SMILES
-
CC[Si](C)(C)OC1CCC2(C)C(CCC3C2
CCC2(C)C(C(C)CCCC(C)(C)O[Si](C )(C)CC)CCC32)C1 - Molecular Weight1
- 577.08
- 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 | 0.8078 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1011.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.082 | Crippen Calculated Property | |
| Inp | 3652.00 | NIST | |
| Tboil | 735.04 | K | Relay (1.0) Calculated Property |
| Tc | 996.53 | K | Relay (1.0) Calculated Property |
| Tfus | 354.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.948 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-cholestan-3«beta»,25-diol, DMESI.
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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