- 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
- CAS
- 4641-57-0
- 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
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4788 | Relay (... Calculated Property | |
| ΔfG° | 113.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -59.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 68.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -1.39 | Relay (... Calculated Property | |
| logPoct/wat | 1.813 | Crippen Calculated Property | |
| McVol | 128.690 | ml/mol | McGowan Calculated Property |
| Pc | 3553.44 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 573.77 | K | Relay (... Calculated Property |
| Tc | 825.09 | K | Relay (... Calculated Property |
| Tfus | 320.05 | K | Relay (... Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (... Calculated Property |
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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