- InChI
- InChI=1S/C21H20N2O/c1-16-12-17(2)14-20(13-16)23-22-19-8-10-21(11-9-19)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b23-22+
- InChI Key
- PEKFOXIPLDGONJ-GHVJWSGMSA-N
- Formula
- C21H20N2O
- SMILES
-
Cc1cc(C)cc(N=Nc2ccc(OCc3ccccc3
)cc2)c1 - Molecular Weight1
- 316.40
- CAS
- 119121-11-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -11461.90 | kJ/mol | NIST |
| ΔfH°gas | 113.41 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 340.00 | kJ/mol | NIST |
| ΔvapH° | 80.23 | kJ/mol | Joback Calculated Property |
| log10WS | -6.69 | Crippen Calculated Property | |
| logPoct/wat | 6.298 | Crippen Calculated Property | |
| McVol | 257.000 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Tboil | 946.48 | K | Joback Calculated Property |
| Tc | 1208.52 | K | Joback Calculated Property |
Similar Compounds
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Sources
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