- InChI
- InChI=1S/C18H20F4O4/c19-17-13(18(20,21)22)7-4-8-14(17)26-16(24)10-9-15(23)25-11-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2
- InChI Key
- YHLUDQLVMLUCSE-UHFFFAOYSA-N
- Formula
- C18H20F4O4
- SMILES
-
O=C(CCC(=O)Oc1cccc(C(F)(F)F)c1
F)OCC1CCCCC1 - Molecular Weight1
- 376.34
- 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).
- 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° | -1025.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1429.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 4.654 | Crippen Calculated Property | |
| McVol | 251.820 | ml/mol | McGowan Calculated Property |
| Pc | 1588.54 | kPa | Joback Calculated Property |
| Tboil | 813.86 | K | Joback Calculated Property |
| Tc | 1019.27 | K | Joback Calculated Property |
| Tfus | 500.56 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.43; 858.27] | J/mol×K | [813.86; 1019.27] | 
|
| Cp,gas | 786.43 | J/mol×K | 813.86 | Joback Calculated Property |
| Cp,gas | 801.31 | J/mol×K | 848.10 | Joback Calculated Property |
| Cp,gas | 814.98 | J/mol×K | 882.33 | Joback Calculated Property |
| Cp,gas | 827.47 | J/mol×K | 916.57 | Joback Calculated Property |
| Cp,gas | 838.82 | J/mol×K | 950.80 | Joback Calculated Property |
| Cp,gas | 849.08 | J/mol×K | 985.04 | Joback Calculated Property |
| Cp,gas | 858.27 | J/mol×K | 1019.27 | Joback Calculated Property |
Similar Compounds
Sources
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