- InChI
- InChI=1S/C13H13F5O2/c1-2-3-4-5-6-20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h2-6H2,1H3
- InChI Key
- WVNPCCPQMDSFOU-UHFFFAOYSA-N
- Formula
- C13H13F5O2
- SMILES
-
CCCCCCOC(=O)c1c(F)c(F)c(F)c(F)
c1F - Molecular Weight1
- 296.23
- Other Names
-
- hexyl pentafluorobenzoate
- 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.
- I : 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° | -1085.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1357.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.47 | Crippen Calculated Property | |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 186.560 | ml/mol | McGowan Calculated Property |
| Pc | 1752.14 | kPa | Joback Calculated Property |
| Inp | [1410.00; 1442.00] |
|
|
| Inp | 1417.00 | NIST | |
| Inp | 1419.00 | NIST | |
| Inp | 1426.00 | NIST | |
| Inp | 1433.00 | NIST | |
| Inp | Outlier 1442.00 | NIST | |
| Inp | 1418.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1419.00 | NIST | |
| Inp | 1417.00 | NIST | |
| I | [1673.00; 1723.00] |
|
|
| I | 1704.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1704.00 | NIST | |
| Tboil | 621.06 | K | Joback Calculated Property |
| Tc | 790.96 | K | Joback Calculated Property |
| Tfus | 400.40 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.72; 545.42] | J/mol×K | [621.06; 790.96] |
|
| Cp,gas | 481.72 | J/mol×K | 621.06 | Joback Calculated Property |
| Cp,gas | 493.60 | J/mol×K | 649.38 | Joback Calculated Property |
| Cp,gas | 504.97 | J/mol×K | 677.69 | Joback Calculated Property |
| Cp,gas | 515.83 | J/mol×K | 706.01 | Joback Calculated Property |
| Cp,gas | 526.19 | J/mol×K | 734.33 | Joback Calculated Property |
| Cp,gas | 536.05 | J/mol×K | 762.65 | Joback Calculated Property |
| Cp,gas | 545.42 | J/mol×K | 790.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.