- InChI
- InChI=1S/C9H4ClF5O2/c10-5-2-1-3-6(4-5)17-7(16)8(11,12)9(13,14)15/h1-4H
- InChI Key
- GENRORJFEYLBRE-UHFFFAOYSA-N
- Formula
- C9H4ClF5O2
- SMILES
-
O=C(Oc1cccc(Cl)c1)C(F)(F)C(F)(
F)F - Molecular Weight1
- 274.57
- 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 | 0.4822 | Relay (... Calculated Property | |
| ΔfG° | -1086.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1334.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.57 | eV | Relay (... Calculated Property |
| log10WS | -4.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 142.440 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | 1038.00 | NIST | |
| Tboil | 453.23 | K | Relay (... Calculated Property |
| Tc | 633.47 | K | Relay (... Calculated Property |
| Tfus | 252.79 | K | Relay (... Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.72; 379.92] | J/mol×K | [540.59; 736.00] | 
|
| Cp,gas | 329.72 | J/mol×K | 540.59 | Joback Calculated Property |
| Cp,gas | 339.95 | J/mol×K | 573.16 | Joback Calculated Property |
| Cp,gas | 349.37 | J/mol×K | 605.73 | Joback Calculated Property |
| Cp,gas | 358.04 | J/mol×K | 638.30 | Joback Calculated Property |
| Cp,gas | 365.99 | J/mol×K | 670.87 | Joback Calculated Property |
| Cp,gas | 373.27 | J/mol×K | 703.43 | Joback Calculated Property |
| Cp,gas | 379.92 | J/mol×K | 736.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorophenol, pentafluoropropionate.
Sources
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