- InChI
- InChI=1S/C14H9F8NO6/c15-7-1-2-8(23(26)27)9(5-7)29-11(25)4-3-10(24)28-6-12(16,17)13(18,19)14(20,21)22/h1-2,5H,3-4,6H2
- InChI Key
- OVVQIRADYXWKMH-UHFFFAOYSA-N
- Formula
- C14H9F8NO6
- SMILES
-
O=C(CCC(=O)Oc1cc(F)ccc1[N+](=O
)[O-])OCC(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 439.21
- 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° | -1822.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2214.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 3.796 | Crippen Calculated Property | |
| McVol | 230.820 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | 1877.00 | NIST | |
| Tboil | 845.25 | K | Joback Calculated Property |
| Tc | 1046.66 | K | Joback Calculated Property |
| Tfus | 598.91 | K | Joback Calculated Property |
| Vc | 0.953 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.16; 746.87] | J/mol×K | [845.25; 1046.66] | 
|
| Cp,gas | 705.16 | J/mol×K | 845.25 | Joback Calculated Property |
| Cp,gas | 713.89 | J/mol×K | 878.82 | Joback Calculated Property |
| Cp,gas | 721.81 | J/mol×K | 912.39 | Joback Calculated Property |
| Cp,gas | 729.01 | J/mol×K | 945.95 | Joback Calculated Property |
| Cp,gas | 735.55 | J/mol×K | 979.52 | Joback Calculated Property |
| Cp,gas | 741.48 | J/mol×K | 1013.09 | Joback Calculated Property |
| Cp,gas | 746.87 | J/mol×K | 1046.66 | Joback Calculated Property |
Similar Compounds
Sources
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