- InChI
- InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3
- InChI Key
- IWYSQBVZHZVYTO-UHFFFAOYSA-N
- Formula
- C15H17F5O2
- SMILES
-
CCCCCCC(C)OC(=O)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 324.29
- 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° | -1070.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1404.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 4.898 | Crippen Calculated Property | |
| McVol | 214.740 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Inp | 1555.00 | NIST | |
| Tboil | 666.38 | K | Joback Calculated Property |
| Tc | 838.10 | K | Joback Calculated Property |
| Tfus | 407.94 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.70; 655.64] | J/mol×K | [666.38; 838.10] | 
|
| Cp,gas | 584.70 | J/mol×K | 666.38 | Joback Calculated Property |
| Cp,gas | 598.05 | J/mol×K | 695.00 | Joback Calculated Property |
| Cp,gas | 610.79 | J/mol×K | 723.62 | Joback Calculated Property |
| Cp,gas | 622.91 | J/mol×K | 752.24 | Joback Calculated Property |
| Cp,gas | 634.42 | J/mol×K | 780.86 | Joback Calculated Property |
| Cp,gas | 645.33 | J/mol×K | 809.48 | Joback Calculated Property |
| Cp,gas | 655.64 | J/mol×K | 838.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octan-2-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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