- InChI
- InChI=1S/C6H2F5NO/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h12H2
- InChI Key
- AUPSECUITDVBHD-UHFFFAOYSA-N
- Formula
- C6H2F5NO
- SMILES
- NOc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 199.08
- 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° | -948.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1066.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 1.635 | Crippen Calculated Property | |
| McVol | 96.340 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Inp | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Tboil | 479.56 | K | Joback Calculated Property |
| Tc | 659.87 | K | Joback Calculated Property |
| Tfus | 354.84 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.79; 244.45] | J/mol×K | [479.56; 659.87] |
|
| Cp,gas | 210.79 | J/mol×K | 479.56 | Joback Calculated Property |
| Cp,gas | 216.87 | J/mol×K | 509.61 | Joback Calculated Property |
| Cp,gas | 222.77 | J/mol×K | 539.66 | Joback Calculated Property |
| Cp,gas | 228.49 | J/mol×K | 569.72 | Joback Calculated Property |
| Cp,gas | 234.01 | J/mol×K | 599.77 | Joback Calculated Property |
| Cp,gas | 239.34 | J/mol×K | 629.82 | Joback Calculated Property |
| Cp,gas | 244.45 | J/mol×K | 659.87 | Joback Calculated Property |
Similar Compounds
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Sources
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