- InChI
- InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)
- InChI Key
- NHLAPJMCARJFOG-UHFFFAOYSA-N
- Formula
- C4H6N2O
- SMILES
- CC1=NN=C(O)C1
- Molecular Weight1
- 98.10
- CAS
- 108-26-9
- Other Names
-
- 2-Pyrazolin-5-one, 3-methyl-
- 3-Methyl-5-pyrazolone
- 3-Methyl-2-pyrazolin-5-one
- 3-Methyl-pyrazolon-(5)
- 2,4-dihydro-5-methyl-3H-pyrazol-3-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5557 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.723 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 6369.39 | kPa | Joback Calculated Property |
| Tboil | 489.70 | K | Relay (1.0) Calculated Property |
| Tc | 745.72 | K | Relay (1.0) Calculated Property |
| Tfus | 354.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.264 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.82; 227.59] | J/mol×K | [518.73; 738.84] | 
|
| Cp,gas | 176.82 | J/mol×K | 518.73 | Joback Calculated Property |
| Cp,gas | 186.54 | J/mol×K | 555.41 | Joback Calculated Property |
| Cp,gas | 195.77 | J/mol×K | 592.10 | Joback Calculated Property |
| Cp,gas | 204.51 | J/mol×K | 628.78 | Joback Calculated Property |
| Cp,gas | 212.74 | J/mol×K | 665.47 | Joback Calculated Property |
| Cp,gas | 220.43 | J/mol×K | 702.15 | Joback Calculated Property |
| Cp,gas | 227.59 | J/mol×K | 738.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-.
Sources
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