- InChI
- InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9)
- InChI Key
- INVVMIXYILXINW-UHFFFAOYSA-N
- Formula
- C6H6N4O
- SMILES
- Cc1cc(=O)n2[nH]cnc2n1
- Molecular Weight1
- 150.14
- CAS
- 35523-67-2
- 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 | 0.5219 | Relay (1.0) Calculated Property | |
| ΔfG° | 221.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 71.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.756 | Crippen Calculated Property | |
| McVol | 102.270 | ml/mol | McGowan Calculated Property |
| Pc | 5811.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 610.20 | K | Relay (1.0) Calculated Property |
| Tc | 876.98 | K | Relay (1.0) Calculated Property |
| Tfus | 526.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![N-[4-(6-methyl)-1,3,3a,7-tetrazaindenyl]-ethylenediamine hydrochloride.](data:image/png;base64,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)
Find more compounds similar to 6-Methyl-4-oxo-1,3,3a,7-tetrazaindene.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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