- InChI
- InChI=1S/C12H15F2NO/c1-2-3-4-7-15-12(16)10-8-9(13)5-6-11(10)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
- InChI Key
- CACINPFZYUABAC-UHFFFAOYSA-N
- Formula
- C12H15F2NO
- SMILES
- CCCCCNC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 227.25
- 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° | -285.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 2.885 | Crippen Calculated Property | |
| McVol | 171.270 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 613.18 | K | Joback Calculated Property |
| Tc | 805.44 | K | Joback Calculated Property |
| Tfus | 380.23 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.32; 505.41] | J/mol×K | [613.18; 805.44] |
|
| Cp,gas | 435.32 | J/mol×K | 613.18 | Joback Calculated Property |
| Cp,gas | 448.75 | J/mol×K | 645.22 | Joback Calculated Property |
| Cp,gas | 461.45 | J/mol×K | 677.27 | Joback Calculated Property |
| Cp,gas | 473.45 | J/mol×K | 709.31 | Joback Calculated Property |
| Cp,gas | 484.75 | J/mol×K | 741.35 | Joback Calculated Property |
| Cp,gas | 495.40 | J/mol×K | 773.40 | Joback Calculated Property |
| Cp,gas | 505.41 | J/mol×K | 805.44 | Joback Calculated Property |
Similar Compounds
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Sources
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