- InChI
- InChI=1S/C20H31NO6/c1-12(2)10-17(23)27-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(25,13(3)4)14(5)22/h6,10,13-14,16,18,22,25H,7-9,11H2,1-5H3/t14-,16+,18?,20-/m1/s1
- InChI Key
- ZWERTNOSRULRHC-QBPABBDRSA-N
- Formula
- C20H31NO6
- SMILES
-
CC(C)=CC(=O)OC1CCN2CC=C(COC(=O
)C(O)(C(C)C)C(C)O)C12 - Molecular Weight1
- 381.46
- 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 | 0.9761 | Relay (1.0) Calculated Property | |
| ΔfG° | -460.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1024.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.190 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1112.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2515.00 | NIST | |
| Tboil | 636.27 | K | Relay (1.0) Calculated Property |
| Tc | 909.24 | K | Relay (1.0) Calculated Property |
| Tfus | 407.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.066 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-senecioylrinderine.
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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