- InChI
- InChI=1S/C14H15ClF2O3/c1-3-14(4-2,12(15)18)13(19)20-8-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3
- InChI Key
- KSDRHKAAYKYYMG-UHFFFAOYSA-N
- Formula
- C14H15ClF2O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc(F
)c(F)c1 - Molecular Weight1
- 304.72
- 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° | -601.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 3.580 | Crippen Calculated Property | |
| McVol | 209.150 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | 1743.00 | NIST | |
| Tboil | 719.26 | K | Joback Calculated Property |
| Tc | 924.92 | K | Joback Calculated Property |
| Tfus | 454.61 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.16; 620.80] | J/mol×K | [719.26; 924.92] | 
|
| Cp,gas | 557.16 | J/mol×K | 719.26 | Joback Calculated Property |
| Cp,gas | 569.83 | J/mol×K | 753.54 | Joback Calculated Property |
| Cp,gas | 581.63 | J/mol×K | 787.81 | Joback Calculated Property |
| Cp,gas | 592.58 | J/mol×K | 822.09 | Joback Calculated Property |
| Cp,gas | 602.74 | J/mol×K | 856.37 | Joback Calculated Property |
| Cp,gas | 612.14 | J/mol×K | 890.65 | Joback Calculated Property |
| Cp,gas | 620.80 | J/mol×K | 924.92 | Joback Calculated Property |
Similar Compounds
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Sources
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