- InChI
- InChI=1S/C16H20F3NO5/c1-5-10-8-12(23-3)11(6-7-20-9(2)21)14(13(10)24-4)25-15(22)16(17,18)19/h8H,5-7H2,1-4H3,(H,20,21)
- InChI Key
- PPYDCOINDOERST-UHFFFAOYSA-N
- Formula
- C16H20F3NO5
- SMILES
-
CCc1cc(OC)c(CCNC(C)=O)c(OC(=O)
C(F)(F)F)c1OC - Molecular Weight1
- 363.33
- 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° | -907.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1348.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 2.412 | Crippen Calculated Property | |
| McVol | 248.580 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | 2080.00 | NIST | |
| Tboil | 831.83 | K | Joback Calculated Property |
| Tc | 1029.48 | K | Joback Calculated Property |
| Tfus | 569.98 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.10; 814.09] | J/mol×K | [831.83; 1029.48] | 
|
| Cp,gas | 753.10 | J/mol×K | 831.83 | Joback Calculated Property |
| Cp,gas | 765.70 | J/mol×K | 864.77 | Joback Calculated Property |
| Cp,gas | 777.32 | J/mol×K | 897.71 | Joback Calculated Property |
| Cp,gas | 787.97 | J/mol×K | 930.66 | Joback Calculated Property |
| Cp,gas | 797.64 | J/mol×K | 963.60 | Joback Calculated Property |
| Cp,gas | 806.34 | J/mol×K | 996.54 | Joback Calculated Property |
| Cp,gas | 814.09 | J/mol×K | 1029.48 | Joback Calculated Property |
Similar Compounds
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Sources
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