- InChI
- InChI=1S/C12H13F2NO3/c1-2-18-10(16)6-7-15-12(17)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,17)
- InChI Key
- DCPLMPSRUHFYLF-UHFFFAOYSA-N
- Formula
- C12H13F2NO3
- SMILES
- CCOC(=O)CCNC(=O)c1c(F)cccc1F
- Molecular Weight1
- 257.23
- 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° | -519.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 1.648 | Crippen Calculated Property | |
| McVol | 178.710 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 1866.00 | NIST | |
| Tboil | 689.47 | K | Joback Calculated Property |
| Tc | 887.43 | K | Joback Calculated Property |
| Tfus | 452.39 | K | Joback Calculated Property |
| Vc | 0.701 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.81; 537.73] | J/mol×K | [689.47; 887.43] | 
|
| Cp,gas | 476.81 | J/mol×K | 689.47 | Joback Calculated Property |
| Cp,gas | 488.76 | J/mol×K | 722.46 | Joback Calculated Property |
| Cp,gas | 499.98 | J/mol×K | 755.46 | Joback Calculated Property |
| Cp,gas | 510.47 | J/mol×K | 788.45 | Joback Calculated Property |
| Cp,gas | 520.25 | J/mol×K | 821.45 | Joback Calculated Property |
| Cp,gas | 529.34 | J/mol×K | 854.44 | Joback Calculated Property |
| Cp,gas | 537.73 | J/mol×K | 887.43 | Joback Calculated Property |
Similar Compounds
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Sources
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