- InChI
- InChI=1S/C9H2Cl3F5O2/c10-3-1-4(11)6(12)5(2-3)19-7(18)8(13,14)9(15,16)17/h1-2H
- InChI Key
- PULPAWQMCVAFSA-UHFFFAOYSA-N
- Formula
- C9H2Cl3F5O2
- SMILES
-
O=C(Oc1cc(Cl)cc(Cl)c1Cl)C(F)(F
)C(F)(F)F - Molecular Weight1
- 343.46
- 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 | 0.5530 | Relay (1.0) Calculated Property | |
| ΔfG° | -1129.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1368.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 166.920 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [1284.00; 1284.00] |
|
|
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Tboil | 489.38 | K | Relay (1.0) Calculated Property |
| Tc | 698.08 | K | Relay (1.0) Calculated Property |
| Tfus | 288.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.87; 409.12] | J/mol×K | [625.41; 831.17] |
|
| Cp,gas | 371.87 | J/mol×K | 625.41 | Joback Calculated Property |
| Cp,gas | 379.66 | J/mol×K | 659.70 | Joback Calculated Property |
| Cp,gas | 386.75 | J/mol×K | 694.00 | Joback Calculated Property |
| Cp,gas | 393.21 | J/mol×K | 728.29 | Joback Calculated Property |
| Cp,gas | 399.06 | J/mol×K | 762.59 | Joback Calculated Property |
| Cp,gas | 404.35 | J/mol×K | 796.88 | Joback Calculated Property |
| Cp,gas | 409.12 | J/mol×K | 831.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Trichlorophenol, O-pentafluoropropionyl-.
Sources
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