- InChI
- InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
- InChI Key
- HNOQAFMOBRWDKQ-UHFFFAOYSA-N
- Formula
- C6H10N2
- SMILES
- Cc1cc(C)n(C)n1
- Molecular Weight1
- 110.16
- CAS
- 1072-91-9
- Other Names
-
- 1,3,5-trimethylpyrazole
- pyrazole, 1,3,5-trimethyl-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- I : Polar retention indices.
- 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 | 949.30 | kJ/mol | NIST |
| BasG | 917.40 | kJ/mol | NIST |
| ΔfusH° | 61.70 | kJ/mol | Thermoc... |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| I | [2197.00; 2197.00] |
|
|
| I | 2197.00 | NIST | |
| I | 2197.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 443.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 1,3,5-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical studies of 3-methylpyrazole and 1,3,5-trimethylpyrazole
- McGowan Method
- NIST Webbook
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