- InChI
- InChI=1S/C12H8F8O2/c13-9(14)11(17,18)12(19,20)10(15,16)6-22-8(21)7-4-2-1-3-5-7/h1-5,9H,6H2
- InChI Key
- ADLMAOYQCWHQOF-UHFFFAOYSA-N
- Formula
- C12H8F8O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1ccccc1 - Molecular Weight1
- 336.18
- 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° | -1623.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1899.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 177.780 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | 1312.00 | NIST | |
| Tboil | 560.96 | K | Joback Calculated Property |
| Tc | 733.54 | K | Joback Calculated Property |
| Tfus | 320.56 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.68; 533.56] | J/mol×K | [560.96; 733.54] | 
|
| Cp,gas | 469.68 | J/mol×K | 560.96 | Joback Calculated Property |
| Cp,gas | 482.46 | J/mol×K | 589.72 | Joback Calculated Property |
| Cp,gas | 494.31 | J/mol×K | 618.49 | Joback Calculated Property |
| Cp,gas | 505.30 | J/mol×K | 647.25 | Joback Calculated Property |
| Cp,gas | 515.47 | J/mol×K | 676.01 | Joback Calculated Property |
| Cp,gas | 524.87 | J/mol×K | 704.78 | Joback Calculated Property |
| Cp,gas | 533.56 | J/mol×K | 733.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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