- InChI
- InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-
- InChI Key
- BTHCJHQOYFUIMG-QCDXTXTGSA-N
- Formula
- C18H27NO5
- SMILES
-
CC=C1CC(C)C(C)(O)C(=O)OCC2CCN3
CCC(OC1=O)C23 - Molecular Weight1
- 337.41
- CAS
- 480-78-4
- Other Names
-
- Senecionan-11,16-dione, 1,2-dihydro-12-hydroxy-, (1«alpha»)-
- (1-«alpha»)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
- Platiphillin
- Platiphyllin
- 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 | 0.6986 | Relay (1.0) Calculated Property | |
| ΔfG° | -347.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -889.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.273 | Crippen Calculated Property | |
| McVol | 258.330 | ml/mol | McGowan Calculated Property |
| Pc | 1285.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2430.00; 2468.00] |
|
|
| Inp | 2430.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2457.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 679.93 | K | Relay (1.0) Calculated Property |
| Tc | 960.43 | K | Relay (1.0) Calculated Property |
| Tfus | 448.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Platyphylline.
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
- McGowan Method
- NIST Webbook
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