- InChI
- InChI=1S/C12H14FNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3
- InChI Key
- FZKUCXBKPCLOMN-UHFFFAOYSA-N
- Formula
- C12H14FNO3
- SMILES
- CCOC(=O)CN(C)C(=O)c1ccc(F)cc1
- 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 | 0.6295 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.461 | Crippen Calculated Property | |
| McVol | 176.940 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Inp | 1765.00 | NIST | |
| Tboil | 580.40 | K | Relay (1.0) Calculated Property |
| Tc | 765.53 | K | Relay (1.0) Calculated Property |
| Tfus | 308.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.92; 524.89] | J/mol×K | [647.49; 849.83] | 
|
| Cp,gas | 456.92 | J/mol×K | 647.49 | Joback Calculated Property |
| Cp,gas | 470.24 | J/mol×K | 681.21 | Joback Calculated Property |
| Cp,gas | 482.74 | J/mol×K | 714.94 | Joback Calculated Property |
| Cp,gas | 494.42 | J/mol×K | 748.66 | Joback Calculated Property |
| Cp,gas | 505.33 | J/mol×K | 782.38 | Joback Calculated Property |
| Cp,gas | 515.48 | J/mol×K | 816.10 | Joback Calculated Property |
| Cp,gas | 524.89 | J/mol×K | 849.83 | Joback Calculated Property |
Similar Compounds
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Sources
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