- InChI
- InChI=1S/C13H11F5O5/c1-2-22-7(19)4-21-5-8(20)23-3-6-9(14)11(16)13(18)12(17)10(6)15/h2-5H2,1H3
- InChI Key
- FQMZPWKDJJSYID-UHFFFAOYSA-N
- Formula
- C13H11F5O5
- SMILES
-
CCOC(=O)COCC(=O)OCc1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 342.22
- 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° | -1424.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1734.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.005 | Crippen Calculated Property | |
| McVol | 199.870 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 719.77 | K | Joback Calculated Property |
| Tc | 898.41 | K | Joback Calculated Property |
| Tfus | 494.79 | K | Joback Calculated Property |
| Vc | 0.811 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.61; 604.30] | J/mol×K | [719.77; 898.41] |
|
| Cp,gas | 548.61 | J/mol×K | 719.77 | Joback Calculated Property |
| Cp,gas | 559.45 | J/mol×K | 749.54 | Joback Calculated Property |
| Cp,gas | 569.69 | J/mol×K | 779.32 | Joback Calculated Property |
| Cp,gas | 579.31 | J/mol×K | 809.09 | Joback Calculated Property |
| Cp,gas | 588.30 | J/mol×K | 838.87 | Joback Calculated Property |
| Cp,gas | 596.63 | J/mol×K | 868.64 | Joback Calculated Property |
| Cp,gas | 604.30 | J/mol×K | 898.41 | Joback Calculated Property |
Similar Compounds
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Sources
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