- InChI
- InChI=1S/C36H68O4Si3/c1-25(15-14-16-26(2)34(37)40-43(11,12)13)29-17-18-30-33-31(20-22-36(29,30)4)35(3)21-19-28(38-41(5,6)7)23-27(35)24-32(33)39-42(8,9)10/h24-26,28-33H,14-23H2,1-13H3/t25?,26?,28-,29+,30?,31?,32+,33?,35-,36+/m1/s1
- InChI Key
- FPKGLSJLFHDABN-BFMVBWRGSA-N
- Formula
- C36H68O4Si3
- SMILES
-
CC(CCCC(C)C1CCC2C3C(O[Si](C)(C
)C)C=C4CC(O[Si](C)(C)C)CCC4(C) C3CCC12C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 649.18
- 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 | 0.8754 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1326.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.436 | Crippen Calculated Property | |
| Pc | -831.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3418.00; 3420.00] |
|
|
| Inp | 3418.00 | NIST | |
| Inp | 3420.00 | NIST | |
| Tboil | 724.45 | K | Relay (1.0) Calculated Property |
| Tc | 998.57 | K | Relay (1.0) Calculated Property |
| Tfus | 379.05 | K | Relay (1.0) Calculated Property |
| Vc | 2.094 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholestenoic acid, 3-«beta»,7-«alpha»-diol, 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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