- InChI
- InChI=1S/C13H13F5O2/c1-5(2)4-6(3)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,4H2,1-3H3
- InChI Key
- LSAKNAZPUHYCEQ-UHFFFAOYSA-N
- Formula
- C13H13F5O2
- SMILES
-
CC(C)CC(C)OC(=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° | -1090.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1368.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 3.974 | Crippen Calculated Property | |
| McVol | 186.560 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | 1318.00 | NIST | |
| Tboil | 620.18 | K | Joback Calculated Property |
| Tc | 795.32 | K | Joback Calculated Property |
| Tfus | 370.40 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.63; 548.31] | J/mol×K | [620.18; 795.32] | 
|
| Cp,gas | 482.63 | J/mol×K | 620.18 | Joback Calculated Property |
| Cp,gas | 494.95 | J/mol×K | 649.37 | Joback Calculated Property |
| Cp,gas | 506.72 | J/mol×K | 678.56 | Joback Calculated Property |
| Cp,gas | 517.94 | J/mol×K | 707.75 | Joback Calculated Property |
| Cp,gas | 528.61 | J/mol×K | 736.94 | Joback Calculated Property |
| Cp,gas | 538.73 | J/mol×K | 766.13 | Joback Calculated Property |
| Cp,gas | 548.31 | J/mol×K | 795.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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