![[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate](/cid/110-323-0/2-2-carbamoylpyrrolidin-1-yl-2-oxoethyl-benzoate.png "[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate")
- InChI
- InChI=1S/C14H16N2O4/c15-13(18)11-7-4-8-16(11)12(17)9-20-14(19)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,18)
- InChI Key
- QUIKDFWIKDMXIO-UHFFFAOYSA-N
- Formula
- C14H16N2O4
- SMILES
-
NC(=O)C1CCCN1C(=O)COC(=O)c1ccc
cc1 - Molecular Weight1
- 276.29
- 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).
- 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 | 0.7763 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -593.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Aq. Solubility Prediction | |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 204.040 | ml/mol | McGowan Calculated Property |
| Pc | 2134.86 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 633.87 | K | Relay (1.0) Calculated Property |
| Tc | 911.15 | K | Relay (1.0) Calculated Property |
| Tfus | 467.65 | K | Aq. Solubility Prediction |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate.
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
- Aqueous Solubility Prediction Method
- McGowan Method
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