- InChI
- InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6-7/h3H,2,4H2,1H3
- InChI Key
- OWQPLIVCAIEJFS-UHFFFAOYSA-N
- Formula
- C5H8N2O
- SMILES
- CC(=O)N1CCC=N1
- Molecular Weight1
- 112.13
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4189 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -26.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.224 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4770.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1159.00 | NIST | |
| Tboil | 474.60 | K | Relay (1.0) Calculated Property |
| Tc | 713.39 | K | Relay (1.0) Calculated Property |
| Tfus | 316.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
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)
Find more compounds similar to 1-Acetyl-4,5-dihydro-1H-pyrazole.
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- Crippen Method
- McGowan Method
- NIST Webbook
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