- InChI
- InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9
- InChI Key
- QRKKTXWUDLJYCV-UHFFFAOYSA-N
- Formula
- C3Cl2F4O
- SMILES
- O=C(C(F)(F)Cl)C(F)(F)Cl
- Molecular Weight1
- 198.93
- CAS
- 127-21-9
- Other Names
-
- 2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-
- sym-Dichlorotetrafluoroacetone
- Bis(chlorodifluoromethyl) ketone
- DCTFA
- Stauffer N-3,412
- 1,1,3,3-Tetrafluoro-1,3-dichloroacetone
- 1,3-Dichloro-1,1,3,3-tetrafluoroacetone
- (CF2Cl)2CO
- Dichlorotetrafluoroacetone
- 1,3-Dichloro-1,1,3,3-tetrafluoro-2-propanone
- 4FK
- Acetone, 1,3-dichloro-1,1,3,3-tetrafluoroacetone
- NSC 62662
- 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).
- 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° | -951.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1051.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.93 | kJ/mol | Joback Calculated Property |
| IE | 10.71 ± 0.01 | eV | NIST |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 86.260 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | [317.70; 318.00] | K |
|
| Tboil | 317.70 | K | NIST |
| Tboil | 318.00 | K | NIST |
| Tboil | 318.00 ± 4.00 | K | NIST |
| Tc | 567.13 | K | Joback Calculated Property |
| Tfus | 240.54 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.73; 186.66] | J/mol×K | [387.39; 567.13] |
|
| Cp,gas | 156.73 | J/mol×K | 387.39 | Joback Calculated Property |
| Cp,gas | 163.05 | J/mol×K | 417.35 | Joback Calculated Property |
| Cp,gas | 168.80 | J/mol×K | 447.30 | Joback Calculated Property |
| Cp,gas | 174.00 | J/mol×K | 477.26 | Joback Calculated Property |
| Cp,gas | 178.69 | J/mol×K | 507.22 | Joback Calculated Property |
| Cp,gas | 182.90 | J/mol×K | 537.17 | Joback Calculated Property |
| Cp,gas | 186.66 | J/mol×K | 567.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichlorotetrafluoroacetone.
Sources
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