- InChI
- InChI=1S/C16H15F6NO5/c1-8(2)27-12(24)11(23-13(25)15(17,18)19)7-9-3-5-10(6-4-9)28-14(26)16(20,21)22/h3-6,8,11H,7H2,1-2H3,(H,23,25)
- InChI Key
- ROGJAPSCFDYSFC-UHFFFAOYSA-N
- Formula
- C16H15F6NO5
- SMILES
-
CC(C)OC(=O)C(Cc1ccc(OC(=O)C(F)
(F)F)cc1)NC(=O)C(F)(F)F - Molecular Weight1
- 415.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7594 | Relay (1.0) Calculated Property | |
| ΔfG° | -1488.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2077.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 249.590 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 1693.00 | NIST | |
| Tboil | 559.90 | K | Relay (1.0) Calculated Property |
| Tc | 757.27 | K | Relay (1.0) Calculated Property |
| Tfus | 365.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.905 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.09; 818.70] | J/mol×K | [842.04; 1039.90] | 
|
| Cp,gas | 767.09 | J/mol×K | 842.04 | Joback Calculated Property |
| Cp,gas | 777.84 | J/mol×K | 875.02 | Joback Calculated Property |
| Cp,gas | 787.67 | J/mol×K | 907.99 | Joback Calculated Property |
| Cp,gas | 796.62 | J/mol×K | 940.97 | Joback Calculated Property |
| Cp,gas | 804.74 | J/mol×K | 973.95 | Joback Calculated Property |
| Cp,gas | 812.08 | J/mol×K | 1006.92 | Joback Calculated Property |
| Cp,gas | 818.70 | J/mol×K | 1039.90 | Joback Calculated Property |
Similar Compounds
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Sources
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