- InChI
- InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3
- InChI Key
- LSZQMSSIUQNTDX-UHFFFAOYSA-N
- Formula
- C5H8N2
- SMILES
- Cc1ccnn1C
- Molecular Weight1
- 96.13
- CAS
- 694-31-5
- Other Names
-
- Pyrazole, 1,5-dimethyl-
- 1,5-Dimethylpyrazole
- 1,5-Dimethyl-1H-pyrazole
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3586 | Relay (... Calculated Property | |
| PAff | 934.30 | kJ/mol | NIST |
| BasG | 902.80 | kJ/mol | NIST |
| ΔfG° | 222.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 125.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 49.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | 1.52 | Relay (... Calculated Property | |
| logPoct/wat | 0.729 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Pc | 5101.40 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 447.69 | K | Relay (... Calculated Property |
| Tc | 646.36 | K | Relay (... Calculated Property |
| Tfus | 289.87 | K | Relay (... Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 1,5-dimethyl-.
Sources
- Cheméo Relay (1.0)
- 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
- McGowan Method
- NIST Webbook
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