- InChI
- InChI=1S/C11H8F11NO5/c1-3(28-7(26)10(17,18)19)4(23-6(25)9(14,15)16)5(24)27-2-8(12,13)11(20,21)22/h3-4H,2H2,1H3,(H,23,25)
- InChI Key
- MCRBGONFYZRMGW-UHFFFAOYSA-N
- Formula
- C11H8F11NO5
- SMILES
-
CC(OC(=O)C(F)(F)F)C(NC(=O)C(F)
(F)F)C(=O)OCC(F)(F)C(F)(F)F - Molecular Weight1
- 443.17
- 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 | 0.6756 | Relay (1.0) Calculated Property | |
| ΔfG° | -2602.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3191.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.268 | Crippen Calculated Property | |
| McVol | 211.750 | ml/mol | McGowan Calculated Property |
| Pc | 1588.54 | kPa | Joback Calculated Property |
| Inp | 977.80 | NIST | |
| Tboil | 456.25 | K | Relay (1.0) Calculated Property |
| Tc | 619.91 | K | Relay (1.0) Calculated Property |
| Tfus | 360.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.82; 684.64] | J/mol×K | [685.87; 848.24] | 
|
| Cp,gas | 636.82 | J/mol×K | 685.87 | Joback Calculated Property |
| Cp,gas | 646.44 | J/mol×K | 712.93 | Joback Calculated Property |
| Cp,gas | 655.35 | J/mol×K | 739.99 | Joback Calculated Property |
| Cp,gas | 663.58 | J/mol×K | 767.06 | Joback Calculated Property |
| Cp,gas | 671.18 | J/mol×K | 794.12 | Joback Calculated Property |
| Cp,gas | 678.19 | J/mol×K | 821.18 | Joback Calculated Property |
| Cp,gas | 684.64 | J/mol×K | 848.24 | Joback Calculated Property |
Similar Compounds
Sources
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