- InChI
- InChI=1S/C9H13ClF2O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h7H,1-6H2
- InChI Key
- OKWLAXYAGXOAFE-UHFFFAOYSA-N
- Formula
- C9H13ClF2O2
- SMILES
- O=C(OCC1CCCCC1)C(F)(F)Cl
- Molecular Weight1
- 226.65
- 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° | -583.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.942 | Crippen Calculated Property | |
| McVol | 150.030 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [1170.00; 1170.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Tboil | 533.90 | K | Joback Calculated Property |
| Tc | 739.03 | K | Joback Calculated Property |
| Tfus | 304.25 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.29; 438.81] | J/mol×K | [533.90; 739.03] |
|
| Cp,gas | 358.29 | J/mol×K | 533.90 | Joback Calculated Property |
| Cp,gas | 374.03 | J/mol×K | 568.09 | Joback Calculated Property |
| Cp,gas | 388.79 | J/mol×K | 602.28 | Joback Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 636.46 | Joback Calculated Property |
| Cp,gas | 415.54 | J/mol×K | 670.65 | Joback Calculated Property |
| Cp,gas | 427.60 | J/mol×K | 704.84 | Joback Calculated Property |
| Cp,gas | 438.81 | J/mol×K | 739.03 | Joback Calculated Property |
Similar Compounds
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Sources
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