- InChI
- InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
- InChI Key
- WITMXBRCQWOZPX-UHFFFAOYSA-N
- Formula
- C9H8N2
- SMILES
- c1ccc(-n2cccn2)cc1
- Molecular Weight1
- 144.17
- CAS
- 1126-00-7
- Other Names
-
- Pyrazole, 1-phenyl-
- N-Phenylpyrazole
- 1-Phenylpyrazole
- 1-Phenyl-1H-pyrazole
- ΔvapH° : Enthalpy of vaporization 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).
- 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 |
|---|---|---|---|
| ΔvapH° | 70.20 ± 3.40 | kJ/mol | NIST |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 1.872 | Crippen Calculated Property | |
| McVol | 114.410 | ml/mol | McGowan Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 1-phenyl-.
Sources
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