- InChI
- InChI=1S/C10H11N5/c1-8-12-10(15-13-8)14-11-7-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)/b11-7+
- InChI Key
- MYKANLIJGNQWPO-YRNVUSSQSA-N
- Formula
- C10H11N5
- SMILES
- Cc1nc(NN=Cc2ccccc2)n[nH]1
- Molecular Weight1
- 201.23
- CAS
- 87123-46-4
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.6167 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5765.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 497.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 407.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 257.70 | kJ/mol | NIST |
| ΔvapH° | 111.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.077 | Crippen Calculated Property | |
| McVol | 154.140 | ml/mol | McGowan Calculated Property |
| Pc | 5775.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 625.17 | K | Relay (1.0) Calculated Property |
| Tc | 939.76 | K | Relay (1.0) Calculated Property |
| Tfus | 456.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzal 3-hydrazino-5-methyl-1,2,4-triazol.
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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