- 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
- 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 | 0.3860 | Relay (1.0) Calculated Property | |
| ΔfG° | -959.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1151.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) 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 | 428.37 | K | Relay (1.0) Calculated Property |
| Tc | 591.93 | K | Relay (1.0) Calculated Property |
| Tfus | 240.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.15; 392.43] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.03300e+01 | |||
| Coefficient B | 1.06250e+00 | |||
| Coefficient C | -9.03900e-04 | |||
| Coefficient D | 2.84160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 359.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 372.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 383.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.43 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentafluoropropionyl.
Sources
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