- InChI
- InChI=1S/C13H10F8O2/c1-7-2-4-8(5-3-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3
- InChI Key
- VFQPUOOYILXUNL-UHFFFAOYSA-N
- Formula
- C13H10F8O2
- SMILES
-
Cc1ccc(C(=O)OCC(F)(F)C(F)(F)C(
F)(F)C(F)F)cc1 - Molecular Weight1
- 350.20
- 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° | -1624.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1931.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 191.870 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [1438.00; 1438.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Tboil | 588.82 | K | Joback Calculated Property |
| Tc | 761.20 | K | Joback Calculated Property |
| Tfus | 344.35 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.10; 583.30] | J/mol×K | [588.82; 761.20] |
|
| Cp,gas | 518.10 | J/mol×K | 588.82 | Joback Calculated Property |
| Cp,gas | 531.03 | J/mol×K | 617.55 | Joback Calculated Property |
| Cp,gas | 543.06 | J/mol×K | 646.28 | Joback Calculated Property |
| Cp,gas | 554.26 | J/mol×K | 675.01 | Joback Calculated Property |
| Cp,gas | 564.66 | J/mol×K | 703.74 | Joback Calculated Property |
| Cp,gas | 574.33 | J/mol×K | 732.47 | Joback Calculated Property |
| Cp,gas | 583.30 | J/mol×K | 761.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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