- InChI
- InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
- InChI Key
- DOJXGHGHTWFZHK-UHFFFAOYSA-N
- Formula
- C3Cl6O
- SMILES
- O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 264.75
- CAS
- 116-16-5
- Other Names
-
- 2-Propanone, 1,1,1,3,3,3-hexachloro-
- Bis(trichloromethyl) ketone
- Hexachloropropanone
- HCA
- Kureha HCA
- 1,1,1,3,3,3-Hexachloro-2-propanone
- 1,1,1,3,3,3-Hexachloropropanone
- 2-Propanone, hexachloro-
- Hexachloro-2-propanone
- Acetone, hexachloro-
- GC-1106
- Perchloro-2-propanone
- HCA weedkiller
- UN 2661
- NSC 6852
- Perchloroacetone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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° | -220.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 3.296 | Crippen Calculated Property | |
| McVol | 128.140 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Inp | [1138.00; 1138.00] |
|
|
| Inp | 1138.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Tboil | 476.20 | K | NIST |
| Tc | 792.64 | K | Joback Calculated Property |
| Tfus | 357.86 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.15; 212.00] | J/mol×K | [540.03; 792.64] |
|
| Cp,gas | 197.15 | J/mol×K | 540.03 | Joback Calculated Property |
| Cp,gas | 201.21 | J/mol×K | 582.13 | Joback Calculated Property |
| Cp,gas | 204.50 | J/mol×K | 624.23 | Joback Calculated Property |
| Cp,gas | 207.13 | J/mol×K | 666.33 | Joback Calculated Property |
| Cp,gas | 209.20 | J/mol×K | 708.43 | Joback Calculated Property |
| Cp,gas | 210.79 | J/mol×K | 750.54 | Joback Calculated Property |
| Cp,gas | 212.00 | J/mol×K | 792.64 | Joback Calculated Property |
| η | [0.0003726; 0.0034078] | Pa×s | [357.86; 540.03] |
|
| η | 0.0034078 | Pa×s | 357.86 | Joback Calculated Property |
| η | 0.0020399 | Pa×s | 388.22 | Joback Calculated Property |
| η | 0.0013155 | Pa×s | 418.58 | Joback Calculated Property |
| η | 0.0009002 | Pa×s | 448.94 | Joback Calculated Property |
| η | 0.0006463 | Pa×s | 479.31 | Joback Calculated Property |
| η | 0.0004827 | Pa×s | 509.67 | Joback Calculated Property |
| η | 0.0003726 | Pa×s | 540.03 | Joback Calculated Property |
| ΔfusH | 8.38 | kJ/mol | 147.70 | NIST |
| ΔvapH | [22.30; 23.60] | kJ/mol | [220.50; 298.50] |
|
| ΔvapH | 23.60 | kJ/mol | 220.50 | NIST |
| ΔvapH | 23.10 | kJ/mol | 229.00 | NIST |
| ΔvapH | 22.30 | kJ/mol | 298.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to Hexachloroacetone.
Sources
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