- InChI
- InChI=1S/C13H15F2NO3/c1-3-6-19-13(18)8(2)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)
- InChI Key
- YVVCZVOJBDCPAI-UHFFFAOYSA-N
- Formula
- C13H15F2NO3
- SMILES
-
CCCOC(=O)C(C)NC(=O)c1ccc(F)cc1
F - Molecular Weight1
- 271.26
- 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 | 0.6838 | Relay (1.0) Calculated Property | |
| ΔfG° | -513.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -896.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.036 | Crippen Calculated Property | |
| McVol | 192.800 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | 1787.00 | NIST | |
| Tboil | 566.75 | K | Relay (1.0) Calculated Property |
| Tc | 781.06 | K | Relay (1.0) Calculated Property |
| Tfus | 349.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.20; 593.49] | J/mol×K | [711.91; 911.04] | 
|
| Cp,gas | 529.20 | J/mol×K | 711.91 | Joback Calculated Property |
| Cp,gas | 541.88 | J/mol×K | 745.10 | Joback Calculated Property |
| Cp,gas | 553.75 | J/mol×K | 778.29 | Joback Calculated Property |
| Cp,gas | 564.84 | J/mol×K | 811.48 | Joback Calculated Property |
| Cp,gas | 575.15 | J/mol×K | 844.66 | Joback Calculated Property |
| Cp,gas | 584.69 | J/mol×K | 877.85 | Joback Calculated Property |
| Cp,gas | 593.49 | J/mol×K | 911.04 | Joback Calculated Property |
Similar Compounds
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Sources
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