- 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-
- 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).
- ΔfusH° : Enthalpy of fusion 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4000 | Relay (... Calculated Property | |
| PAff | 949.30 | kJ/mol | NIST |
| BasG | 917.40 | kJ/mol | NIST |
| ΔfG° | 201.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 91.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 61.70 | kJ/mol | Thermoc... |
| ΔvapH° | 52.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | 1.29 | Relay (... Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 4528.31 | kPa | Relay (... Calculated Property ⚠️ |
| I | [2197.00; 2197.00] |
|
|
| I | 2197.00 | NIST | |
| I | 2197.00 | NIST | |
| Tboil | 454.55 | K | Relay (... Calculated Property |
| Tc | 647.42 | K | Relay (... Calculated Property |
| Tfus | 311.42 | K | Relay (... Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (... Calculated Property |
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
- 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
- Thermochemical studies of 3-methylpyrazole and 1,3,5-trimethylpyrazole
- McGowan Method
- NIST Webbook
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