- InChI
- InChI=1S/C16H13ClF8O4/c1-8-6-9(2-3-10(8)17)29-12(27)5-4-11(26)28-7-14(20,21)16(24,25)15(22,23)13(18)19/h2-3,6,13H,4-5,7H2,1H3
- InChI Key
- PTKNAHZKVGSMFY-UHFFFAOYSA-N
- Formula
- C16H13ClF8O4
- SMILES
-
Cc1cc(OC(=O)CCC(=O)OCC(F)(F)C(
F)(F)C(F)(F)C(F)F)ccc1Cl - Molecular Weight1
- 456.71
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8526 | Relay (... Calculated Property | |
| ΔfG° | -1855.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2356.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -6.63 | Relay (... Calculated Property | |
| logPoct/wat | 5.048 | Crippen Calculated Property | |
| McVol | 253.820 | ml/mol | McGowan Calculated Property |
| Pc | 1378.88 | kPa | Joback Calculated Property |
| Inp | [2036.00; 2036.00] |
|
|
| Inp | 2036.00 | NIST | |
| Inp | 2036.00 | NIST | |
| Tboil | 600.81 | K | Relay (... Calculated Property |
| Tc | 786.05 | K | Relay (... Calculated Property |
| Tfus | 342.26 | K | Relay (... Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.87; 796.64] | J/mol×K | [776.16; 961.73] |
|
| Cp,gas | 741.87 | J/mol×K | 776.16 | Joback Calculated Property |
| Cp,gas | 752.92 | J/mol×K | 807.09 | Joback Calculated Property |
| Cp,gas | 763.12 | J/mol×K | 838.02 | Joback Calculated Property |
| Cp,gas | 772.55 | J/mol×K | 868.95 | Joback Calculated Property |
| Cp,gas | 781.24 | J/mol×K | 899.87 | Joback Calculated Property |
| Cp,gas | 789.25 | J/mol×K | 930.80 | Joback Calculated Property |
| Cp,gas | 796.64 | J/mol×K | 961.73 | Joback Calculated Property |
Similar Compounds
Sources
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