- InChI
- InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
- InChI Key
- CMCWWLVWPDLCRM-UHFFFAOYSA-N
- Formula
- C9H10N2O
- SMILES
- O=C1CCN(c2ccccc2)N1
- Molecular Weight1
- 162.19
- CAS
- 92-43-3
- Other Names
-
- Fenidon
- Phenidone
- 1-Phenyl-3-oxopyrazolidine
- 1-Phenyl-3-pyrazolidinone
- 1-Phenyl-3-pyrazolidone
- 1-Phenylpyrazolid-3-one
- 2-Pyrazolin-3-ol, 1-phenyl-
- 1-P-3-P
- 1-Phenyl-pyrazolidin-3-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5012 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 28.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.928 | Crippen Calculated Property | |
| McVol | 124.580 | ml/mol | McGowan Calculated Property |
| Pc | 4324.43 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 589.51 | K | Relay (1.0) Calculated Property |
| Tc | 848.93 | K | Relay (1.0) Calculated Property |
| Tfus | 400.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 84.30 | kJ/mol | 337.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Pyrazolidinone, 1-phenyl-.
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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