- InChI
- InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)
- InChI Key
- QYJOOVQLTTVTJY-UHFFFAOYSA-N
- Formula
- C7H11NO3
- SMILES
- CCOC(=O)C1CCC(O)=N1
- Molecular Weight1
- 157.17
- Other Names
-
- ethyl pyroglumate (probably ethyl pyroglutamate)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5902 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.668 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Inp | 1447.00 | NIST | |
| Tboil | 544.16 | K | Relay (1.0) Calculated Property |
| Tc | 768.13 | K | Relay (1.0) Calculated Property |
| Tfus | 374.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.33; 373.97] | J/mol×K | [601.15; 805.55] | 
|
| Cp,gas | 312.33 | J/mol×K | 601.15 | Joback Calculated Property |
| Cp,gas | 324.23 | J/mol×K | 635.22 | Joback Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 669.28 | Joback Calculated Property |
| Cp,gas | 346.09 | J/mol×K | 703.35 | Joback Calculated Property |
| Cp,gas | 356.04 | J/mol×K | 737.41 | Joback Calculated Property |
| Cp,gas | 365.34 | J/mol×K | 771.48 | Joback Calculated Property |
| Cp,gas | 373.97 | J/mol×K | 805.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrrolidinecarboxylic acid-5-oxo-, ethyl ester.
Sources
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