- InChI
- InChI=1S/C13H13F5O2/c1-3-4-6(2)5-20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,3-5H2,1-2H3
- InChI Key
- CRUFFQDZFSBYKT-UHFFFAOYSA-N
- Formula
- C13H13F5O2
- SMILES
-
CCCC(C)COC(=O)c1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 296.23
- 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° | -1087.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1363.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 3.975 | Crippen Calculated Property | |
| McVol | 186.560 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Inp | [1398.00; 1398.00] |
|
|
| Inp | 1398.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Tboil | 620.62 | K | Joback Calculated Property |
| Tc | 793.08 | K | Joback Calculated Property |
| Tfus | 385.40 | K | Joback Calculated Property |
| Vc | 0.763 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.18; 546.85] | J/mol×K | [620.62; 793.08] |
|
| Cp,gas | 482.18 | J/mol×K | 620.62 | Joback Calculated Property |
| Cp,gas | 494.27 | J/mol×K | 649.36 | Joback Calculated Property |
| Cp,gas | 505.83 | J/mol×K | 678.11 | Joback Calculated Property |
| Cp,gas | 516.87 | J/mol×K | 706.85 | Joback Calculated Property |
| Cp,gas | 527.39 | J/mol×K | 735.59 | Joback Calculated Property |
| Cp,gas | 537.38 | J/mol×K | 764.34 | Joback Calculated Property |
| Cp,gas | 546.85 | J/mol×K | 793.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2-methylpentyl ester.
Sources
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