- InChI
- InChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3
- InChI Key
- CTYBLBDVHGMMKF-UHFFFAOYSA-N
- Formula
- C13H16FNO3
- SMILES
- CCCOC(=O)CN(C)C(=O)c1ccccc1F
- 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° | -285.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.851 | Crippen Calculated Property | |
| McVol | 191.030 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Inp | [1859.00; 1859.00] |
|
|
| Inp | 1859.00 | NIST | |
| Inp | 1859.00 | NIST | |
| Tboil | 670.37 | K | Joback Calculated Property |
| Tc | 870.15 | K | Joback Calculated Property |
| Tfus | 430.36 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.96; 578.62] | J/mol×K | [670.37; 870.15] |
|
| Cp,gas | 507.96 | J/mol×K | 670.37 | Joback Calculated Property |
| Cp,gas | 521.80 | J/mol×K | 703.67 | Joback Calculated Property |
| Cp,gas | 534.78 | J/mol×K | 736.96 | Joback Calculated Property |
| Cp,gas | 546.93 | J/mol×K | 770.26 | Joback Calculated Property |
| Cp,gas | 558.27 | J/mol×K | 803.56 | Joback Calculated Property |
| Cp,gas | 568.82 | J/mol×K | 836.85 | Joback Calculated Property |
| Cp,gas | 578.62 | J/mol×K | 870.15 | Joback Calculated Property |
Similar Compounds
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Sources
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