- InChI
- InChI=1S/C13H16FNO3/c1-2-9-18-12(16)7-8-15-13(17)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17)
- InChI Key
- IMXAWXOVWAWUON-UHFFFAOYSA-N
- Formula
- C13H16FNO3
- SMILES
- CCCOC(=O)CCNC(=O)c1ccc(F)cc1
- Molecular Weight1
- 253.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -306.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 1.899 | Crippen Calculated Property | |
| McVol | 191.030 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | 1958.00 | NIST | |
| Tboil | 708.10 | K | Joback Calculated Property |
| Tc | 910.62 | K | Joback Calculated Property |
| Tfus | 450.55 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.81; 588.34] | J/mol×K | [708.10; 910.62] | 
|
| Cp,gas | 521.81 | J/mol×K | 708.10 | Joback Calculated Property |
| Cp,gas | 534.94 | J/mol×K | 741.85 | Joback Calculated Property |
| Cp,gas | 547.22 | J/mol×K | 775.61 | Joback Calculated Property |
| Cp,gas | 558.68 | J/mol×K | 809.36 | Joback Calculated Property |
| Cp,gas | 569.34 | J/mol×K | 843.11 | Joback Calculated Property |
| Cp,gas | 579.22 | J/mol×K | 876.87 | Joback Calculated Property |
| Cp,gas | 588.34 | J/mol×K | 910.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-fluorobenzoyl)-, propyl ester.
Sources
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