- InChI
- InChI=1S/C15H13F4NO4/c16-14(17)15(18,19)9-23-12(21)2-1-3-13(22)24-11-6-4-10(8-20)5-7-11/h4-7,14H,1-3,9H2
- InChI Key
- TYAQIQMCBDWRMY-UHFFFAOYSA-N
- Formula
- C15H13F4NO4
- SMILES
-
N#Cc1ccc(OC(=O)CCCC(=O)OCC(F)(
F)C(F)F)cc1 - Molecular Weight1
- 347.26
- 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° | -935.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.76 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.078 | Crippen Calculated Property | |
| McVol | 221.790 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | 2118.00 | NIST | |
| Tboil | 822.33 | K | Joback Calculated Property |
| Tc | 1024.46 | K | Joback Calculated Property |
| Tfus | 496.84 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.44; 697.93] | J/mol×K | [822.33; 1024.46] | 
|
| Cp,gas | 648.44 | J/mol×K | 822.33 | Joback Calculated Property |
| Cp,gas | 658.74 | J/mol×K | 856.02 | Joback Calculated Property |
| Cp,gas | 668.18 | J/mol×K | 889.71 | Joback Calculated Property |
| Cp,gas | 676.79 | J/mol×K | 923.40 | Joback Calculated Property |
| Cp,gas | 684.60 | J/mol×K | 957.09 | Joback Calculated Property |
| Cp,gas | 691.64 | J/mol×K | 990.78 | Joback Calculated Property |
| Cp,gas | 697.93 | J/mol×K | 1024.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-cyanophenyl ester.
Sources
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