- InChI
- InChI=1S/C19H14F6O4/c1-11(26)29-16-4-2-12(3-5-16)8-17(27)28-10-13-6-14(18(20,21)22)9-15(7-13)19(23,24)25/h2-7,9H,8,10H2,1H3
- InChI Key
- MPHHUIBCLHIUDZ-UHFFFAOYSA-N
- Formula
- C19H14F6O4
- SMILES
-
CC(=O)Oc1ccc(CC(=O)OCc2cc(C(F)
(F)F)cc(C(F)(F)F)c2)cc1 - Molecular Weight1
- 420.30
- 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° | -1325.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1680.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Joback Calculated Property |
| log10WS | -6.19 | Crippen Calculated Property | |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 256.550 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [1961.00; 1961.00] |
|
|
| Inp | 1961.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Tboil | 844.16 | K | Joback Calculated Property |
| Tc | 1049.64 | K | Joback Calculated Property |
| Tfus | 546.99 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.31; 824.31] | J/mol×K | [844.16; 1049.64] |
|
| Cp,gas | 769.31 | J/mol×K | 844.16 | Joback Calculated Property |
| Cp,gas | 780.74 | J/mol×K | 878.41 | Joback Calculated Property |
| Cp,gas | 791.19 | J/mol×K | 912.65 | Joback Calculated Property |
| Cp,gas | 800.71 | J/mol×K | 946.90 | Joback Calculated Property |
| Cp,gas | 809.37 | J/mol×K | 981.14 | Joback Calculated Property |
| Cp,gas | 817.21 | J/mol×K | 1015.39 | Joback Calculated Property |
| Cp,gas | 824.31 | J/mol×K | 1049.64 | Joback Calculated Property |
Similar Compounds
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Sources
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