- InChI
- InChI=1S/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-3-1-2-5(4-6)7(20)21/h1-4H,(H,19,22)(H,20,21)
- InChI Key
- RIEFKYYVBXCIQO-UHFFFAOYSA-N
- Formula
- C11H6F7NO3
- SMILES
-
O=C(O)c1cccc(NC(=O)C(F)(F)C(F)
(F)C(F)(F)F)c1 - Molecular Weight1
- 333.16
- 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° | -1515.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1768.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 173.470 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 1652.00 | NIST | |
| Tboil | 718.03 | K | Joback Calculated Property |
| Tc | 901.87 | K | Joback Calculated Property |
| Tfus | 477.40 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.80; 538.33] | J/mol×K | [718.03; 901.87] | 
|
| Cp,gas | 499.80 | J/mol×K | 718.03 | Joback Calculated Property |
| Cp,gas | 507.71 | J/mol×K | 748.67 | Joback Calculated Property |
| Cp,gas | 514.93 | J/mol×K | 779.31 | Joback Calculated Property |
| Cp,gas | 521.54 | J/mol×K | 809.95 | Joback Calculated Property |
| Cp,gas | 527.60 | J/mol×K | 840.59 | Joback Calculated Property |
| Cp,gas | 533.18 | J/mol×K | 871.23 | Joback Calculated Property |
| Cp,gas | 538.33 | J/mol×K | 901.87 | Joback Calculated Property |
Similar Compounds
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Sources
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