- InChI
- InChI=1S/C12H14FNO3/c1-2-17-11(15)6-7-14-12(16)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,16)
- InChI Key
- QVULOOQYGKEXKJ-UHFFFAOYSA-N
- Formula
- C12H14FNO3
- SMILES
- CCOC(=O)CCNC(=O)c1cccc(F)c1
- Molecular Weight1
- 239.24
- 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 | 0.6755 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.509 | Crippen Calculated Property | |
| McVol | 176.940 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | 1844.00 | NIST | |
| Tboil | 585.82 | K | Relay (1.0) Calculated Property |
| Tc | 796.43 | K | Relay (1.0) Calculated Property |
| Tfus | 317.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.95; 533.96] | J/mol×K | [685.22; 890.17] | 
|
| Cp,gas | 469.95 | J/mol×K | 685.22 | Joback Calculated Property |
| Cp,gas | 482.58 | J/mol×K | 719.38 | Joback Calculated Property |
| Cp,gas | 494.40 | J/mol×K | 753.54 | Joback Calculated Property |
| Cp,gas | 505.43 | J/mol×K | 787.70 | Joback Calculated Property |
| Cp,gas | 515.69 | J/mol×K | 821.86 | Joback Calculated Property |
| Cp,gas | 525.19 | J/mol×K | 856.01 | Joback Calculated Property |
| Cp,gas | 533.96 | J/mol×K | 890.17 | Joback Calculated Property |
Similar Compounds
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Sources
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