- InChI
- InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2
- InChI Key
- MAKQREKUUHPPIS-UHFFFAOYSA-N
- Formula
- C10H8N4
- SMILES
- N#Cc1cnn(-c2ccccc2)c1N
- Molecular Weight1
- 184.20
- CAS
- 5334-43-0
- Other Names
-
- 5-Amino-1-phenylpyrazole-4-carbonitrile
- 1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
- 5-amino-1-phenyl-1H-pyrazole-4-carbonitrile
- 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 | 0.5943 | Relay (1.0) Calculated Property | |
| ΔfG° | 462.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 442.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.326 | Crippen Calculated Property | |
| McVol | 139.860 | ml/mol | McGowan Calculated Property |
| Pc | 4110.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 642.94 | K | Relay (1.0) Calculated Property |
| Tc | 945.50 | K | Relay (1.0) Calculated Property |
| Tfus | 445.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Amino-4-cyano-1-phenylpyrazole.
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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