- InChI
- InChI=1S/C8H8N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h2-6H,1H3
- InChI Key
- DWFDADZCRATSDV-UHFFFAOYSA-N
- Formula
- C8H8N4
- SMILES
- Cc1nnn(-c2ccccc2)n1
- Molecular Weight1
- 160.18
- CAS
- 22706-20-3
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4566.04 ± 0.59 | kJ/mol | NIST |
| ΔfH°solid | 274.60 | kJ/mol | NIST |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 0.971 | Crippen Calculated Property | |
| McVol | 120.280 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenyl-5-methyltetrazole.
Sources
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