- InChI
- InChI=1S/C13H13F5O2/c1-4-13(3,5-2)20-12(19)6-7(14)9(16)11(18)10(17)8(6)15/h4-5H2,1-3H3
- InChI Key
- AVHDRMHRBXEPHW-UHFFFAOYSA-N
- Formula
- C13H13F5O2
- SMILES
-
CCC(C)(CC)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° | -1082.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1366.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 4.118 | Crippen Calculated Property | |
| McVol | 186.560 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | 1350.00 | NIST | |
| Tboil | 617.83 | K | Joback Calculated Property |
| Tc | 795.18 | K | Joback Calculated Property |
| Tfus | 402.82 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.99; 549.88] | J/mol×K | [617.83; 795.18] | 
|
| Cp,gas | 484.99 | J/mol×K | 617.83 | Joback Calculated Property |
| Cp,gas | 497.28 | J/mol×K | 647.39 | Joback Calculated Property |
| Cp,gas | 508.96 | J/mol×K | 676.95 | Joback Calculated Property |
| Cp,gas | 520.05 | J/mol×K | 706.51 | Joback Calculated Property |
| Cp,gas | 530.56 | J/mol×K | 736.07 | Joback Calculated Property |
| Cp,gas | 540.50 | J/mol×K | 765.62 | Joback Calculated Property |
| Cp,gas | 549.88 | J/mol×K | 795.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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