- InChI
- InChI=1S/C18H25NO4/c1-12(2)9-16(20)22-11-14-5-7-19-8-6-15(18(14)19)23-17(21)10-13(3)4/h5,9-10,15,18H,6-8,11H2,1-4H3/t15-,18+/m1/s1
- InChI Key
- HYBMOCMONQPISM-QAPCUYQASA-N
- Formula
- C18H25NO4
- SMILES
-
CC(C)=CC(=O)OCC1=CCN2CCC(OC(=O
)C=C(C)C)C12 - Molecular Weight1
- 319.40
- 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 | 0.6753 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -602.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.388 | Crippen Calculated Property | |
| McVol | 254.720 | ml/mol | McGowan Calculated Property |
| Pc | 1389.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2275.00; 2325.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2277.00 | NIST | |
| Inp | 2325.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Tboil | 604.74 | K | Relay (1.0) Calculated Property |
| Tc | 841.82 | K | Relay (1.0) Calculated Property |
| Tfus | 372.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7,9-Disenecioylheliotridine.
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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