- InChI
- InChI=1S/C14H10N2O2/c17-16(18)14-7-6-13-8-12(9-15(13)10-14)11-4-2-1-3-5-11/h1-10H
- InChI Key
- MAHPGNZUNZRRFK-UHFFFAOYSA-N
- Formula
- C14H10N2O2
- SMILES
-
O=[N+]([O-])c1ccc2cc(-c3ccccc3
)cn2c1 - Molecular Weight1
- 238.24
- CAS
- 60891-76-1
- 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).
- 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 | 0.6328 | Relay (1.0) Calculated Property | |
| ΔfG° | 399.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 269.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 172.840 | ml/mol | McGowan Calculated Property |
| Pc | 3390.44 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 672.34 | K | Relay (1.0) Calculated Property |
| Tc | 999.84 | K | Relay (1.0) Calculated Property |
| Tfus | 459.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Nitro-2-phenylindolizine.
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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