- InChI
- InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
- InChI Key
- SMZHKGXSEAGRTI-UHFFFAOYSA-N
- Formula
- C3H3Cl3O
- SMILES
- CC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 161.42
- Other Names
-
- «alpha»,«alpha»,«alpha»-Trichloroacetone
- Trichloroacetone
- 1,1,1-Trichloroacetone
- 1,1,1-Trichloropropanone
- 1,1,1-Trichloro-2-propanone
- CCl3COCH3
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2350 | Relay (1.0) Calculated Property | |
| PAff | 768.30 | kJ/mol | NIST |
| BasG | 736.30 | kJ/mol | NIST |
| ΔfG° | -187.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.946 | Crippen Calculated Property | |
| McVol | 91.420 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Tboil | 407.70 | K | NIST |
| Tc | 612.27 | K | Relay (1.0) Calculated Property |
| Tfus | 246.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.63; 168.28] | J/mol×K | [431.17; 650.35] | 
|
| Cp,gas | 140.63 | J/mol×K | 431.17 | Joback Calculated Property |
| Cp,gas | 146.41 | J/mol×K | 467.70 | Joback Calculated Property |
| Cp,gas | 151.68 | J/mol×K | 504.23 | Joback Calculated Property |
| Cp,gas | 156.47 | J/mol×K | 540.76 | Joback Calculated Property |
| Cp,gas | 160.81 | J/mol×K | 577.29 | Joback Calculated Property |
| Cp,gas | 164.74 | J/mol×K | 613.82 | Joback Calculated Property |
| Cp,gas | 168.28 | J/mol×K | 650.35 | Joback Calculated Property |
| η | [0.0004876; 0.0048742] | Pa×s | [265.68; 431.17] |
|
| η | 0.0048742 | Pa×s | 265.68 | Joback Calculated Property |
| η | 0.0027727 | Pa×s | 293.26 | Joback Calculated Property |
| η | 0.0017379 | Pa×s | 320.84 | Joback Calculated Property |
| η | 0.0011729 | Pa×s | 348.43 | Joback Calculated Property |
| η | 0.0008386 | Pa×s | 376.01 | Joback Calculated Property |
| η | 0.0006277 | Pa×s | 403.59 | Joback Calculated Property |
| η | 0.0004876 | Pa×s | 431.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1,1-trichloro-.
Sources
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