- InChI
- InChI=1S/C15H15F5O4/c1-7(2)6-23-8(21)4-3-5-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h7H,3-6H2,1-2H3
- InChI Key
- UGWYPEAARDIJRA-UHFFFAOYSA-N
- Formula
- C15H15F5O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 354.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1529.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.657 | Crippen Calculated Property | |
| McVol | 222.180 | ml/mol | McGowan Calculated Property |
| Pc | 1469.10 | kPa | Joback Calculated Property |
| Inp | [1764.00; 1764.00] |
|
|
| Inp | 1764.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Tboil | 550.74 | K | Relay (1.0) Calculated Property |
| Tc | 739.24 | K | Relay (1.0) Calculated Property |
| Tfus | 295.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.54; 711.57] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.06434e+02 | |||
| Coefficient B | 1.00774e+00 | |||
| Coefficient C | -3.84200e-04 | |||
| Coefficient D | -1.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 352.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 414.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 470.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 521.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 566.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 606.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 641.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 670.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 693.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 711.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl pentafluorophenyl ester.
Sources
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