- InChI
- InChI=1S/C31H56N2O4Si2/c1-21(11-16-29(34)35-4)25-14-15-26-24-13-12-22-19-23(32-36-38(5,6)7)17-18-30(22,2)27(24)20-28(31(25,26)3)33-37-39(8,9)10/h21-22,24-27H,11-20H2,1-10H3/t21?,22-,24?,25?,26?,27?,30?,31?/m0/s1
- InChI Key
- VRCDGKRYZBFSLU-BIKAVESDSA-N
- Formula
- C31H56N2O4Si2
- SMILES
-
COC(=O)CCC(C)C1CCC2C3CCC4CC(=N
O[Si](C)(C)C)CCC4(C)C3CC(=NO[S i](C)(C)C)C12C - Molecular Weight1
- 576.96
- 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 | 0.9124 | Relay (... Calculated Property | |
| ΔfG° | 87.17 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -842.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.63 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -6.68 | Relay (... Calculated Property | |
| logPoct/wat | 8.260 | Crippen Calculated Property | |
| Pc | -393.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3324.00; 3324.00] |
|
|
| Inp | 3324.00 | NIST | |
| Inp | 3324.00 | NIST | |
| Tboil | 725.43 | K | Relay (... Calculated Property |
| Tc | 999.74 | K | Relay (... Calculated Property |
| Tfus | 383.40 | K | Relay (... Calculated Property |
| Vc | 1.769 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 5-«beta»-cholan-3,12-dione-24-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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