- InChI
- InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
- InChI Key
- SDXAWLJRERMRKF-UHFFFAOYSA-N
- Formula
- C5H8N2
- SMILES
- Cc1cc(C)[nH]n1
- Molecular Weight1
- 96.13
- Other Names
-
- 1(H)-3,5-Dimethylpyrazole
- 3,5 DMP
- 3,5-Dimethyl-1H-pyrazole
- 3,5-Dwumetylopirazolu
- 3,5-dimethylpyrazole
- NSC 8729
- Pyrazole, 3,5-dimethyl-
- TH 564
- U 6245
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 933.50 | kJ/mol | NIST |
| BasG | 900.10 | kJ/mol | NIST |
| ΔsubH° | 83.40 ± 2.40 | kJ/mol | NIST |
| IE | 8.75 ± 0.03 | eV | NIST |
| logPoct/wat | 0.545 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Inp | [1010.00; 1024.00] |
|
|
| Inp | 1010.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1014.00 | NIST | |
| I | [1675.00; 1685.00] |
|
|
| I | 1675.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1675.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tfus | [381.75; 382.20] | K |
|
| Tfus | 381.75 | K | Solubility determination and thermodynamic modelling of 3,5-dimethylpyrazole in nine organic solvents from T = (283.15 to 313.15) K and mixing properties of solutions |
| Tfus | 382.20 | K | Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 83.30 ± 0.20 | kJ/mol | 301.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-PYRAZOLE, 3,5-DIMETHYL-.
Mixtures
- Acetonitrile + 1H-PYRAZOLE, 3,5-DIMETHYL-
- 1H-PYRAZOLE, 3,5-DIMETHYL- + Methyl Alcohol
- 1H-PYRAZOLE, 3,5-DIMETHYL- + Ethanol
- 1-Propanol + 1H-PYRAZOLE, 3,5-DIMETHYL-
- 2-Propanol + 1H-PYRAZOLE, 3,5-DIMETHYL-
- 1H-PYRAZOLE, 3,5-DIMETHYL- + Acetone
- Toluene + 1H-PYRAZOLE, 3,5-DIMETHYL-
- 1H-PYRAZOLE, 3,5-DIMETHYL- + 1-Butanol
- 1H-PYRAZOLE, 3,5-DIMETHYL- + Ethyl Acetate
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility determination and thermodynamic modelling of 3,5-dimethylpyrazole in nine organic solvents from T = (283.15 to 313.15) K and mixing properties of solutions
- Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.