- InChI
- InChI=1S/C12H7F9O2/c13-7-3-1-2-6(4-7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
- InChI Key
- YWVCFSSGXHKWPF-UHFFFAOYSA-N
- Formula
- C12H7F9O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1cccc(F)c1 - Molecular Weight1
- 354.17
- 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° | -1828.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2107.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.154 | Crippen Calculated Property | |
| McVol | 179.550 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | 1282.00 | NIST | |
| Tboil | 565.21 | K | Joback Calculated Property |
| Tc | 731.87 | K | Joback Calculated Property |
| Tfus | 333.67 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.75; 538.11] | J/mol×K | [565.21; 731.87] | 
|
| Cp,gas | 477.75 | J/mol×K | 565.21 | Joback Calculated Property |
| Cp,gas | 489.74 | J/mol×K | 592.99 | Joback Calculated Property |
| Cp,gas | 500.89 | J/mol×K | 620.76 | Joback Calculated Property |
| Cp,gas | 511.26 | J/mol×K | 648.54 | Joback Calculated Property |
| Cp,gas | 520.90 | J/mol×K | 676.31 | Joback Calculated Property |
| Cp,gas | 529.83 | J/mol×K | 704.09 | Joback Calculated Property |
| Cp,gas | 538.11 | J/mol×K | 731.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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