- InChI
- InChI=1S/C15H17F3O4/c1-9(2)7-21-13(19)3-4-14(20)22-8-10-5-11(16)15(18)12(17)6-10/h5-6,9H,3-4,7-8H2,1-2H3
- InChI Key
- VXZJAEZVXPZDHM-UHFFFAOYSA-N
- Formula
- C15H17F3O4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cc(F)c(
F)c(F)c1 - Molecular Weight1
- 318.29
- 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 | -1262.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.127 | Crippen Calculated Property | |
| McVol | 218.640 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1847.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 562.47 | K | Relay (1.0) Calculated Property |
| Tc | 745.35 | K | Relay (1.0) Calculated Property |
| Tfus | 278.36 | 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 | [615.82; 683.01] | J/mol×K | [734.17; 922.85] |
|
| Cp,gas | 615.82 | J/mol×K | 734.17 | Joback Calculated Property |
| Cp,gas | 628.99 | J/mol×K | 765.62 | Joback Calculated Property |
| Cp,gas | 641.37 | J/mol×K | 797.06 | Joback Calculated Property |
| Cp,gas | 652.96 | J/mol×K | 828.51 | Joback Calculated Property |
| Cp,gas | 663.76 | J/mol×K | 859.95 | Joback Calculated Property |
| Cp,gas | 673.78 | J/mol×K | 891.40 | Joback Calculated Property |
| Cp,gas | 683.01 | J/mol×K | 922.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 3,4,5-trifluorobenzyl ester.
Sources
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