- InChI
- InChI=1S/C10H4Cl2F4O4/c11-9(13,14)7(17)19-5-2-1-3-6(4-5)20-8(18)10(12,15)16/h1-4H
- InChI Key
- OIBZMUXEJPUWAL-UHFFFAOYSA-N
- Formula
- C10H4Cl2F4O4
- SMILES
-
O=C(Oc1cccc(OC(=O)C(F)(F)Cl)c1
)C(F)(F)Cl - Molecular Weight1
- 335.04
- 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° | -1129.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1347.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.161 | Crippen Calculated Property | |
| McVol | 174.440 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1352.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Tboil | 677.92 | K | Joback Calculated Property |
| Tc | 888.89 | K | Joback Calculated Property |
| Tfus | 452.76 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.20; 463.99] | J/mol×K | [677.92; 888.89] |
|
| Cp,gas | 423.20 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 431.85 | J/mol×K | 713.08 | Joback Calculated Property |
| Cp,gas | 439.70 | J/mol×K | 748.24 | Joback Calculated Property |
| Cp,gas | 446.80 | J/mol×K | 783.41 | Joback Calculated Property |
| Cp,gas | 453.18 | J/mol×K | 818.57 | Joback Calculated Property |
| Cp,gas | 458.90 | J/mol×K | 853.73 | Joback Calculated Property |
| Cp,gas | 463.99 | J/mol×K | 888.89 | Joback Calculated Property |
Similar Compounds
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Sources
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