- InChI
- InChI=1S/C12H3F13O2/c13-3-2(4(14)6(16)7(17)5(3)15)8(26)27-1-10(20,21)12(24,25)11(22,23)9(18)19/h9H,1H2
- InChI Key
- UIAOMAFZCXDVJQ-UHFFFAOYSA-N
- Formula
- C12H3F13O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 426.13
- 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° | -2645.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2937.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 4.710 | Crippen Calculated Property | |
| McVol | 186.630 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | [1192.00; 1192.00] |
|
|
| Inp | 1192.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Tboil | 582.21 | K | Joback Calculated Property |
| Tc | 730.88 | K | Joback Calculated Property |
| Tfus | 386.11 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.09; 558.00] | J/mol×K | [582.21; 730.88] |
|
| Cp,gas | 509.09 | J/mol×K | 582.21 | Joback Calculated Property |
| Cp,gas | 518.57 | J/mol×K | 606.99 | Joback Calculated Property |
| Cp,gas | 527.49 | J/mol×K | 631.77 | Joback Calculated Property |
| Cp,gas | 535.87 | J/mol×K | 656.55 | Joback Calculated Property |
| Cp,gas | 543.73 | J/mol×K | 681.32 | Joback Calculated Property |
| Cp,gas | 551.10 | J/mol×K | 706.10 | Joback Calculated Property |
| Cp,gas | 558.00 | J/mol×K | 730.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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