- InChI
- InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)
- InChI Key
- AXINVSXSGNSVLV-UHFFFAOYSA-N
- Formula
- C3H5N3
- SMILES
- Nc1cn[nH]c1
- Molecular Weight1
- 83.09
- CAS
- 28466-26-4
- 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 | 0.4619 | Relay (1.0) Calculated Property | |
| PAff | 907.60 | kJ/mol | NIST |
| BasG | 874.00 | kJ/mol | NIST |
| ΔfG° | 239.20 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | 173.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.490 | Crippen Calculated Property | |
| McVol | 63.610 | ml/mol | McGowan Calculated Property |
| Pc | 6314.31 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 584.94 | K | Relay (1.0) Calculated Property |
| Tc | 807.01 | K | Relay (1.0) Calculated Property |
| Tfus | 483.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.225 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-NH2-pyrazole.
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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