- InChI
- InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)
- InChI Key
- KODLJWKGAKBGOB-UHFFFAOYSA-N
- Formula
- C13H18N2O3
- SMILES
- NC(CCCCNC(=O)c1ccccc1)C(=O)O
- Molecular Weight1
- 250.29
- CAS
- 5107-18-6
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -70.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 0.999 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Tboil | 845.70 | K | Joback Calculated Property |
| Tc | 1057.70 | K | Joback Calculated Property |
| Tfus | 544.29 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.62; 653.55] | J/mol×K | [845.70; 1057.70] | 
|
| Cp,gas | 600.62 | J/mol×K | 845.70 | Joback Calculated Property |
| Cp,gas | 611.30 | J/mol×K | 881.03 | Joback Calculated Property |
| Cp,gas | 621.16 | J/mol×K | 916.37 | Joback Calculated Property |
| Cp,gas | 630.28 | J/mol×K | 951.70 | Joback Calculated Property |
| Cp,gas | 638.68 | J/mol×K | 987.03 | Joback Calculated Property |
| Cp,gas | 646.42 | J/mol×K | 1022.37 | Joback Calculated Property |
| Cp,gas | 653.55 | J/mol×K | 1057.70 | Joback Calculated Property |
Similar Compounds
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Sources
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