- InChI
- InChI=1S/C22H22F4O4/c23-15-9-16(24)12-19(11-15)29-21(27)7-5-3-1-2-4-6-8-22(28)30-20-13-17(25)10-18(26)14-20/h9-14H,1-8H2
- InChI Key
- RWIJULKZYJEZNK-UHFFFAOYSA-N
- Formula
- C22H22F4O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1cc(F)cc(F)
c1)Oc1cc(F)cc(F)c1 - Molecular Weight1
- 426.40
- 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° | -926.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1344.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.81 | kJ/mol | Joback Calculated Property |
| log10WS | -7.59 | Crippen Calculated Property | |
| logPoct/wat | 5.875 | Crippen Calculated Property | |
| McVol | 295.280 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | 2712.00 | NIST | |
| Tboil | 925.70 | K | Joback Calculated Property |
| Tc | 1135.80 | K | Joback Calculated Property |
| Tfus | 587.30 | K | Joback Calculated Property |
| Vc | 1.171 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.99; 981.33] | J/mol×K | [925.70; 1135.80] | 
|
| Cp,gas | 922.99 | J/mol×K | 925.70 | Joback Calculated Property |
| Cp,gas | 935.66 | J/mol×K | 960.72 | Joback Calculated Property |
| Cp,gas | 947.12 | J/mol×K | 995.73 | Joback Calculated Property |
| Cp,gas | 957.40 | J/mol×K | 1030.75 | Joback Calculated Property |
| Cp,gas | 966.51 | J/mol×K | 1065.77 | Joback Calculated Property |
| Cp,gas | 974.48 | J/mol×K | 1100.79 | Joback Calculated Property |
| Cp,gas | 981.33 | J/mol×K | 1135.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(3,5-difluorophenyl) ester.
Sources
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