- InChI
- InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5H
- InChI Key
- VUBUXALTYMBEQO-UHFFFAOYSA-N
- Formula
- C9H5F5O
- SMILES
- O=C(c1ccccc1)C(F)(F)C(F)(F)F
- Molecular Weight1
- 224.13
- 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° | -959.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1103.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.067 | Crippen Calculated Property | |
| McVol | 124.330 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Inp | [906.00; 906.00] |
|
|
| Inp | 906.00 | NIST | |
| Inp | 906.00 | NIST | |
| Tboil | 475.76 | K | Joback Calculated Property |
| Tc | 666.13 | K | Joback Calculated Property |
| Tfus | 275.33 | K | Joback Calculated Property |
| Vc | 0.505 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.17; 340.34] | J/mol×K | [475.76; 666.13] |
|
| Cp,gas | 281.17 | J/mol×K | 475.76 | Joback Calculated Property |
| Cp,gas | 293.22 | J/mol×K | 507.49 | Joback Calculated Property |
| Cp,gas | 304.33 | J/mol×K | 539.22 | Joback Calculated Property |
| Cp,gas | 314.53 | J/mol×K | 570.95 | Joback Calculated Property |
| Cp,gas | 323.90 | J/mol×K | 602.67 | Joback Calculated Property |
| Cp,gas | 332.49 | J/mol×K | 634.40 | Joback Calculated Property |
| Cp,gas | 340.34 | J/mol×K | 666.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentafluoropropionyl.
Sources
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