- InChI
- InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
- InChI Key
- IONNJVQITCVNHK-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- O=C1CCC(=O)N1Cc1ccccc1
- Molecular Weight1
- 189.21
- CAS
- 2142-06-5
- Other Names
-
- Pyrrolidine-2,5-dione, 1-(phenylmethyl)-
- Pyrrolidine-2,5-dione, 1-benzyl-
- N-Benzylsuccinimide
- 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 | 0.5453 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -190.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.336 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 3034.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1708.50; 1708.50] |
|
|
| Inp | 1708.50 | NIST | |
| Inp | 1708.50 | NIST | |
| Tboil | 606.61 | K | Relay (1.0) Calculated Property |
| Tc | 845.49 | K | Relay (1.0) Calculated Property |
| Tfus | 360.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Pyrrolidinedione, 1-(phenylmethyl)-.
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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