- InChI
- InChI=1S/C12H6F10O2/c13-5-1-2-6(7(14)3-5)8(23)24-4-10(17,18)12(21,22)11(19,20)9(15)16/h1-3,9H,4H2
- InChI Key
- YXXJRJWUGWOKGP-UHFFFAOYSA-N
- Formula
- C12H6F10O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1ccc(F)cc1F - Molecular Weight1
- 372.16
- 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° | -2032.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2314.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.293 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | 1288.00 | NIST | |
| Tboil | 569.46 | K | Joback Calculated Property |
| Tc | 730.78 | K | Joback Calculated Property |
| Tfus | 346.78 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.73; 542.84] | J/mol×K | [569.46; 730.78] | 
|
| Cp,gas | 485.73 | J/mol×K | 569.46 | Joback Calculated Property |
| Cp,gas | 496.99 | J/mol×K | 596.35 | Joback Calculated Property |
| Cp,gas | 507.50 | J/mol×K | 623.23 | Joback Calculated Property |
| Cp,gas | 517.31 | J/mol×K | 650.12 | Joback Calculated Property |
| Cp,gas | 526.44 | J/mol×K | 677.01 | Joback Calculated Property |
| Cp,gas | 534.94 | J/mol×K | 703.89 | Joback Calculated Property |
| Cp,gas | 542.84 | J/mol×K | 730.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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