- InChI
- InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
- InChI Key
- ULPMPUPEFBDQQA-UHFFFAOYSA-N
- Formula
- C11H12N2
- SMILES
- Cc1cc(C)n(-c2ccccc2)n1
- Molecular Weight1
- 172.23
- CAS
- 1131-16-4
- Other Names
-
- 3,5-Dimethyl-1-phenylpyrazole
- 3,5-dimethyl-1-phenyl-1H-pyrazole
- ω : Acentric Factor.
- 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).
- 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 | 0.4732 | Relay (... Calculated Property | |
| ΔfG° | 311.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 239.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -1.29 | Relay (... Calculated Property | |
| logPoct/wat | 2.489 | Crippen Calculated Property | |
| McVol | 142.590 | ml/mol | McGowan Calculated Property |
| Pc | 4169.11 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 560.81 | K | Relay (... Calculated Property |
| Tc | 804.13 | K | Relay (... Calculated Property |
| Tfus | 301.20 | K | Relay (... Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 3,5-dimethyl-1-phenyl-.
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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