- InChI
- InChI=1S/C37H69NO3Si3/c1-26(15-14-16-27(2)35(39)40-43(8,9)10)31-17-18-32-34-28(25-42(5,6)7)23-29-24-30(38-41-44(11,12)13)19-21-36(29,3)33(34)20-22-37(31,32)4/h24,26-28,31-34H,14-23,25H2,1-13H3/t26?,27?,28-,31+,32?,33?,34?,36-,37+/m1/s1
- InChI Key
- AXOIKOKMFAEGSZ-BCOCLSDOSA-N
- Formula
- C37H69NO3Si3
- SMILES
-
CC(CCCC(C)C1CCC2C3C(C[Si](C)(C
)C)CC4=CC(=NO[Si](C)(C)C)CCC4( C)C3CCC12C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 660.21
- 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 | 0.9611 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1087.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.158 | Crippen Calculated Property | |
| Pc | -919.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3582.00; 3582.00] |
|
|
| Inp | 3582.00 | NIST | |
| Inp | 3582.00 | NIST | |
| Tboil | 746.41 | K | Relay (1.0) Calculated Property |
| Tc | 1019.83 | K | Relay (1.0) Calculated Property |
| Tfus | 417.19 | K | Relay (1.0) Calculated Property |
| Vc | 2.115 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7«alpha»-hydroxy-3-oxo-4-cholesten-26-oate, oxime-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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