- InChI
- InChI=1S/C8H5ClF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
- InChI Key
- UVQWPRFEOFCDLY-UHFFFAOYSA-N
- Formula
- C8H5ClF2O
- SMILES
- O=C(c1ccc(Cl)cc1)C(F)F
- Molecular Weight1
- 190.57
- 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° | -413.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.788 | Crippen Calculated Property | |
| McVol | 117.170 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [1108.00; 1108.00] |
|
|
| Inp | 1108.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Tboil | 503.50 | K | Joback Calculated Property |
| Tc | 713.93 | K | Joback Calculated Property |
| Tfus | 284.89 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.22; 283.20] | J/mol×K | [503.50; 713.93] |
|
| Cp,gas | 233.22 | J/mol×K | 503.50 | Joback Calculated Property |
| Cp,gas | 243.06 | J/mol×K | 538.57 | Joback Calculated Property |
| Cp,gas | 252.27 | J/mol×K | 573.64 | Joback Calculated Property |
| Cp,gas | 260.86 | J/mol×K | 608.72 | Joback Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 643.79 | Joback Calculated Property |
| Cp,gas | 276.30 | J/mol×K | 678.86 | Joback Calculated Property |
| Cp,gas | 283.20 | J/mol×K | 713.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetophenone, 4'-chloro-2,2-difluoro.
Sources
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