- InChI
- InChI=1S/C31H55NOSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33-34(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h20-23,26-29H,10-19H2,1-9H3/b32-25+
- InChI Key
- BAYSVJISKLMRMP-WGPBWIAQSA-N
- Formula
- C31H55NOSi
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CCC4=CC
(=NO[Si](C)(C)C)CCC4(C)C3CCC12 C - Molecular Weight1
- 485.86
- 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 | 0.7344 | Relay (1.0) Calculated Property | |
| ΔfG° | 327.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -468.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.481 | Crippen Calculated Property | |
| Pc | 36.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3370.00; 3370.00] |
|
|
| Inp | 3370.00 | NIST | |
| Inp | 3370.00 | NIST | |
| Tboil | 703.71 | K | Relay (1.0) Calculated Property |
| Tc | 964.41 | K | Relay (1.0) Calculated Property |
| Tfus | 382.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.573 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-4-cholesten-3-one, oxime, TMS # 1.
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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