- InChI
- InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
- InChI Key
- MENUYOGJCXAFFU-UHFFFAOYSA-N
- Formula
- C9H6N4
- SMILES
- N#CC(C#N)=NNc1ccccc1
- Molecular Weight1
- 170.18
- 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 | 0.6081 | Relay (1.0) Calculated Property | |
| ΔfG° | 533.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 627.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.36 | Aq. Solubility Prediction | |
| logPoct/wat | 1.502 | Crippen Calculated Property | |
| McVol | 132.330 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Tboil | 543.47 | K | Relay (1.0) Calculated Property |
| Tc | 816.42 | K | Relay (1.0) Calculated Property |
| Tfus | 381.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(phenylhydrazinylidene)propanedinitrile.
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
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
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