- InChI
- InChI=1S/C9H8N2O2/c1-7-4-8-2-3-9(11(12)13)6-10(8)5-7/h2-6H,1H3
- InChI Key
- MAZOIJIDRZDDKK-UHFFFAOYSA-N
- Formula
- C9H8N2O2
- SMILES
- Cc1cc2ccc([N+](=O)[O-])cn2c1
- Molecular Weight1
- 176.17
- CAS
- 60891-75-0
- 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 | 0.5728 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 125.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 4060.39 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 588.67 | K | Relay (1.0) Calculated Property |
| Tc | 872.08 | K | Relay (1.0) Calculated Property |
| Tfus | 414.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-6-nitroindolizine.
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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