- InChI
- InChI=1S/C10H10N2/c1-12-8-7-10(11-12)9-5-3-2-4-6-9/h2-8H,1H3
- InChI Key
- AQQUNJMVAKJGKR-UHFFFAOYSA-N
- Formula
- C10H10N2
- SMILES
- Cn1ccc(-c2ccccc2)n1
- Molecular Weight1
- 158.20
- CAS
- 3463-26-1
- Other Names
-
- 1-Methyl-3-phenylpyrazole
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 932.60 | kJ/mol | NIST |
| BasG | 900.80 | kJ/mol | NIST |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 2.087 | Crippen Calculated Property | |
| McVol | 128.500 | ml/mol | McGowan Calculated Property |
| Tboil | 553.70 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 1-methyl-3-phenyl-.
Sources
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