- InChI
- InChI=1S/C16H15N5/c1-12-15(19-10-8-17-12)21(14-6-4-3-5-7-14)16-13(2)18-9-11-20-16/h3-11H,1-2H3
- InChI Key
- AUNFLIHVNSEECY-UHFFFAOYSA-N
- Formula
- C16H15N5
- SMILES
- Cc1nccnc1N(c1ccccc1)c1nccnc1C
- Molecular Weight1
- 277.32
- CAS
- 116296-02-7
- 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).
- 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 | 0.6615 | Relay (1.0) Calculated Property | |
| ΔfG° | 552.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 443.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.353 | Crippen Calculated Property | |
| McVol | 214.920 | ml/mol | McGowan Calculated Property |
| Pc | 4448.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 642.15 | K | Relay (1.0) Calculated Property |
| Tc | 1007.04 | K | Relay (1.0) Calculated Property |
| Tfus | 415.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,n-di-2-(3-methylpyrazyl) aniline.
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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