- InChI
- InChI=1S/C17H14F2O4/c1-2-22-16(20)13-5-3-4-6-14(13)17(21)23-10-11-9-12(18)7-8-15(11)19/h3-9H,2,10H2,1H3
- InChI Key
- ILWSBQQALBNMIA-UHFFFAOYSA-N
- Formula
- C17H14F2O4
- SMILES
-
CCOC(=O)c1ccccc1C(=O)OCc1cc(F)
ccc1F - Molecular Weight1
- 320.29
- 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° | -569.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.15 | Crippen Calculated Property | |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 221.290 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Inp | 2046.00 | NIST | |
| Tboil | 807.78 | K | Joback Calculated Property |
| Tc | 1025.18 | K | Joback Calculated Property |
| Tfus | 517.25 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.44; 684.30] | J/mol×K | [807.78; 1025.18] | 
|
| Cp,gas | 625.44 | J/mol×K | 807.78 | Joback Calculated Property |
| Cp,gas | 637.88 | J/mol×K | 844.01 | Joback Calculated Property |
| Cp,gas | 649.24 | J/mol×K | 880.25 | Joback Calculated Property |
| Cp,gas | 659.55 | J/mol×K | 916.48 | Joback Calculated Property |
| Cp,gas | 668.82 | J/mol×K | 952.71 | Joback Calculated Property |
| Cp,gas | 677.07 | J/mol×K | 988.95 | Joback Calculated Property |
| Cp,gas | 684.30 | J/mol×K | 1025.18 | Joback Calculated Property |
Similar Compounds
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Sources
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