- InChI
- InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- JMVIVASFFKKFQK-UHFFFAOYSA-N
- Formula
- C10H11NO
- SMILES
- O=C1CCCN1c1ccccc1
- Molecular Weight1
- 161.20
- Other Names
-
- N-Phenyl-2-pyrrolidinone
- N-Phenyl-2-pyrrolidone
- 1-Phenyl-2-pyrrolidinone
- N-Phenyl pyrrolidone
- 1-Phenyl-2-pyrrolidone
- 1-Phenyl-pyrrolidin-2-one
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 69.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.813 | Crippen Calculated Property | |
| McVol | 128.690 | ml/mol | McGowan Calculated Property |
| Tboil | 573.77 | K | Relay (1.0) Calculated Property |
| Tfus | 312.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 396.20 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 2-Pyrrolidinone, 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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