- InChI
- InChI=1S/C28H45NO/c1-19(2)10-9-11-20(3)22-13-14-23-26-24(15-17-28(22,23)5)27(4)16-8-7-12-21(27)18-25(26)29-30-6/h7,12,18-20,22-24,26H,8-11,13-17H2,1-6H3/t20?,22-,23?,24?,26?,27+,28-/m0/s1
- InChI Key
- YIIXEXYTOLDYFP-TXYBNLJASA-N
- Formula
- C28H45NO
- SMILES
-
CON=C1C=C2C=CCCC2(C)C2CCC3(C)C
(C(C)CCCC(C)C)CCC3C12 - Molecular Weight1
- 411.66
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 | 0.6718 | Relay (1.0) Calculated Property | |
| ΔfG° | 373.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -217.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.806 | Crippen Calculated Property | |
| McVol | 364.890 | ml/mol | McGowan Calculated Property |
| Pc | 913.29 | kPa | Joback Calculated Property |
| Inp | [3104.00; 3104.00] |
|
|
| Inp | 3104.00 | NIST | |
| Inp | 3104.00 | NIST | |
| Inp | 3104.00 | NIST | |
| Tboil | 668.54 | K | Relay (1.0) Calculated Property |
| Tc | 942.03 | K | Relay (1.0) Calculated Property |
| Tfus | 377.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.274 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Cholestadien-7-one, MO.
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
- Joback Method
- McGowan Method
- NIST Webbook
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