- InChI
- InChI=1S/C20H25NO2/c1-14(2)10-12-20(13-11-15(3)4)18(22)16-8-6-7-9-17(16)21(5)19(20)23/h6-11H,12-13H2,1-5H3
- InChI Key
- DPDOQGICSCTEJS-UHFFFAOYSA-N
- Formula
- C20H25NO2
- SMILES
-
CC(C)=CCC1(CC=C(C)C)C(=O)c2ccc
cc2N(C)C1=O - Molecular Weight1
- 311.42
- 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 | 0.6039 | Relay (... Calculated Property | |
| ΔfG° | 100.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -221.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.87 | kJ/mol | Relay (... Calculated Property |
| IE | 7.67 | eV | Relay (... Calculated Property |
| log10WS | -4.59 | Relay (... Calculated Property | |
| logPoct/wat | 4.545 | Crippen Calculated Property | |
| McVol | 262.560 | ml/mol | McGowan Calculated Property |
| Pc | 1354.80 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2151.00; 2151.00] |
|
|
| Inp | 2151.00 | NIST | |
| Inp | 2151.00 | NIST | |
| Tboil | 642.26 | K | Relay (... Calculated Property |
| Tc | 904.04 | K | Relay (... Calculated Property |
| Tfus | 375.51 | K | Relay (... Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Diisopentenyl-N-methyl-2,4-quinoldione.
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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