- InChI
- InChI=1S/C15H11F9O4/c16-8-2-1-3-9(6-8)28-11(26)5-4-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-3,6,12H,4-5,7H2
- InChI Key
- PBBFBHWPGXVPEA-UHFFFAOYSA-N
- Formula
- C15H11F9O4
- SMILES
-
O=C(CCC(=O)Oc1cccc(F)c1)OCC(F)
(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 426.23
- 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° | -2036.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2413.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.61 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.225 | Crippen Calculated Property | |
| McVol | 229.260 | ml/mol | McGowan Calculated Property |
| Pc | 1490.74 | kPa | Joback Calculated Property |
| Inp | [1721.00; 1721.00] |
|
|
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 710.14 | K | Joback Calculated Property |
| Tc | 884.59 | K | Joback Calculated Property |
| Tfus | 439.64 | K | Joback Calculated Property |
| Vc | 0.939 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.47; 729.73] | J/mol×K | [710.14; 884.59] |
|
| Cp,gas | 672.47 | J/mol×K | 710.14 | Joback Calculated Property |
| Cp,gas | 683.91 | J/mol×K | 739.22 | Joback Calculated Property |
| Cp,gas | 694.54 | J/mol×K | 768.29 | Joback Calculated Property |
| Cp,gas | 704.39 | J/mol×K | 797.37 | Joback Calculated Property |
| Cp,gas | 713.50 | J/mol×K | 826.44 | Joback Calculated Property |
| Cp,gas | 721.94 | J/mol×K | 855.52 | Joback Calculated Property |
| Cp,gas | 729.73 | J/mol×K | 884.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-fluorophenyl ester.
Sources
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