- InChI
- InChI=1S/C16H11ClF8O4/c17-10-3-1-9(2-4-10)7-28-11(26)5-6-12(27)29-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-6,13H,7-8H2/b6-5+
- InChI Key
- VDQBIVORUJXYSW-AATRIKPKSA-N
- Formula
- C16H11ClF8O4
- SMILES
-
O=C(C=CC(=O)OCC(F)(F)C(F)(F)C(
F)(F)C(F)F)OCc1ccc(Cl)cc1 - Molecular Weight1
- 454.70
- 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° | -1765.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2137.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 4.654 | Crippen Calculated Property | |
| McVol | 249.520 | ml/mol | McGowan Calculated Property |
| Pc | 1450.14 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 775.34 | K | Joback Calculated Property |
| Tc | 964.07 | K | Joback Calculated Property |
| Tfus | 475.16 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.73; 769.91] | J/mol×K | [775.34; 964.07] |
|
| Cp,gas | 717.73 | J/mol×K | 775.34 | Joback Calculated Property |
| Cp,gas | 728.24 | J/mol×K | 806.79 | Joback Calculated Property |
| Cp,gas | 737.94 | J/mol×K | 838.25 | Joback Calculated Property |
| Cp,gas | 746.88 | J/mol×K | 869.70 | Joback Calculated Property |
| Cp,gas | 755.14 | J/mol×K | 901.16 | Joback Calculated Property |
| Cp,gas | 762.80 | J/mol×K | 932.61 | Joback Calculated Property |
| Cp,gas | 769.91 | J/mol×K | 964.07 | Joback Calculated Property |
Similar Compounds
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Sources
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