- InChI
- InChI=1S/C16H17F5O4/c1-8(2)6-24-10(22)4-3-5-11(23)25-7-9-12(17)14(19)16(21)15(20)13(9)18/h8H,3-7H2,1-2H3
- InChI Key
- CJNAGPFAZANGLN-UHFFFAOYSA-N
- Formula
- C16H17F5O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 368.30
- 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 | -1570.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.795 | Crippen Calculated Property | |
| McVol | 236.270 | ml/mol | McGowan Calculated Property |
| Pc | 1366.68 | kPa | Joback Calculated Property |
| Inp | 1915.00 | NIST | |
| Tboil | 581.19 | K | Relay (1.0) Calculated Property |
| Tc | 750.68 | K | Relay (1.0) Calculated Property |
| Tfus | 308.26 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.09; 739.66] | J/mol×K | [729.61; 905.68] | 
|
| Cp,gas | 674.09 | J/mol×K | 729.61 | Joback Calculated Property |
| Cp,gas | 686.97 | J/mol×K | 758.96 | Joback Calculated Property |
| Cp,gas | 699.08 | J/mol×K | 788.30 | Joback Calculated Property |
| Cp,gas | 710.40 | J/mol×K | 817.65 | Joback Calculated Property |
| Cp,gas | 720.94 | J/mol×K | 846.99 | Joback Calculated Property |
| Cp,gas | 730.69 | J/mol×K | 876.34 | Joback Calculated Property |
| Cp,gas | 739.66 | J/mol×K | 905.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl pentafluorobenzyl ester.
Sources
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