- InChI
- InChI=1S/C16H8F6O4/c17-7-1-3-9(15(21)13(7)19)25-11(23)5-6-12(24)26-10-4-2-8(18)14(20)16(10)22/h1-4H,5-6H2
- InChI Key
- NWBQCOPHIKHVDR-UHFFFAOYSA-N
- Formula
- C16H8F6O4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)c(F)c1F)Oc
1ccc(F)c(F)c1F - Molecular Weight1
- 378.22
- 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° | -1385.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1635.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 3.812 | Crippen Calculated Property | |
| McVol | 214.280 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | 2055.00 | NIST | |
| Tboil | 796.92 | K | Joback Calculated Property |
| Tc | 993.55 | K | Joback Calculated Property |
| Tfus | 545.90 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.44; 645.87] | J/mol×K | [796.92; 993.55] | 
|
| Cp,gas | 597.44 | J/mol×K | 796.92 | Joback Calculated Property |
| Cp,gas | 607.56 | J/mol×K | 829.69 | Joback Calculated Property |
| Cp,gas | 616.86 | J/mol×K | 862.46 | Joback Calculated Property |
| Cp,gas | 625.34 | J/mol×K | 895.24 | Joback Calculated Property |
| Cp,gas | 633.00 | J/mol×K | 928.01 | Joback Calculated Property |
| Cp,gas | 639.85 | J/mol×K | 960.78 | Joback Calculated Property |
| Cp,gas | 645.87 | J/mol×K | 993.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2,3,4-trifluorophenyl) ester.
Sources
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