- InChI
- InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
- InChI Key
- JXHKUYQCEJILEI-UHFFFAOYSA-N
- Formula
- C15H12N2
- SMILES
-
c1ccc(-c2cc(-c3ccccc3)[nH]n2)c
c1 - Molecular Weight1
- 220.27
- CAS
- 1145-01-3
- Other Names
-
- 3,5-Diphenylpyrazole
- Pyrazole, 3,5-diphenyl-
- 3,5-Diphenyl-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 | 0.5022 | Relay (... Calculated Property | |
| PAff | 946.30 | kJ/mol | NIST |
| BasG | 912.70 | kJ/mol | NIST |
| ΔfG° | 421.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 366.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -3.97 | Relay (... Calculated Property | |
| logPoct/wat | 3.262 | Crippen Calculated Property | |
| McVol | 175.190 | ml/mol | McGowan Calculated Property |
| Pc | 4171.59 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 660.69 | K | Relay (... Calculated Property |
| Tc | 960.27 | K | Relay (... Calculated Property |
| Tfus | 433.45 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 3,5-diphenyl-.
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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