- InChI
- InChI=1S/C7H6F7NO3/c1-18-3(16)2-15-4(17)5(8,9)6(10,11)7(12,13)14/h2H2,1H3,(H,15,17)
- InChI Key
- IPSZMIRIAURPSU-UHFFFAOYSA-N
- Formula
- C7H6F7NO3
- SMILES
-
COC(=O)CNC(=O)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 285.12
- 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 | 0.5432 | Relay (1.0) Calculated Property | |
| ΔfG° | -1620.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2036.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.109 | Crippen Calculated Property | |
| McVol | 140.870 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | 1013.00 | NIST | |
| Tboil | 442.39 | K | Relay (1.0) Calculated Property |
| Tc | 585.95 | K | Relay (1.0) Calculated Property |
| Tfus | 285.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.54; 417.72] | J/mol×K | [525.09; 687.13] | 
|
| Cp,gas | 368.54 | J/mol×K | 525.09 | Joback Calculated Property |
| Cp,gas | 378.27 | J/mol×K | 552.10 | Joback Calculated Property |
| Cp,gas | 387.35 | J/mol×K | 579.10 | Joback Calculated Property |
| Cp,gas | 395.80 | J/mol×K | 606.11 | Joback Calculated Property |
| Cp,gas | 403.65 | J/mol×K | 633.11 | Joback Calculated Property |
| Cp,gas | 410.95 | J/mol×K | 660.12 | Joback Calculated Property |
| Cp,gas | 417.72 | J/mol×K | 687.13 | Joback Calculated Property |
Similar Compounds
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Sources
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