- InChI
- InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
- InChI Key
- SUNMBRGCANLOEG-UHFFFAOYSA-N
- Formula
- C3H4Cl2O
- SMILES
- O=C(CCl)CCl
- Molecular Weight1
- 126.97
- CAS
- 534-07-6
- Other Names
-
- 1,3-Dichloro-2-propanone
- 1,3-Dichloroacetone
- Bis(chloromethyl) ketone
- NSC 8745
- UN 2649
- s-Dichloroacetone
- sym-Dichloroacetone
- «alpha»,«alpha»'-Dichloroacetone
- «alpha»,«gamma»-Dichloroacetone
- «alpha»,«alpha»'-Dichloroacetone
- «alpha»,«gamma»-Dichloroacetone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -178.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.79 | kJ/mol | Joback Calculated Property |
| IE | 10.03 ± 0.02 | eV | NIST |
| log10WS | -0.66 | Crippen Calculated Property | |
| logPoct/wat | 1.033 | Crippen Calculated Property | |
| McVol | 79.180 | ml/mol | McGowan Calculated Property |
| Pc | 4345.39 | kPa | Joback Calculated Property |
| Inp | [866.00; 870.00] |
|
|
| Inp | 866.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 866.00 | NIST | |
| Tboil | 446.60 | K | NIST |
| Tc | 593.93 | K | Joback Calculated Property |
| Tfus | 233.34 | K | Joback Calculated Property |
| Vc | 0.307 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.84; 146.32] | J/mol×K | [396.77; 593.93] |
|
| Cp,gas | 118.84 | J/mol×K | 396.77 | Joback Calculated Property |
| Cp,gas | 124.04 | J/mol×K | 429.63 | Joback Calculated Property |
| Cp,gas | 128.97 | J/mol×K | 462.49 | Joback Calculated Property |
| Cp,gas | 133.67 | J/mol×K | 495.35 | Joback Calculated Property |
| Cp,gas | 138.11 | J/mol×K | 528.21 | Joback Calculated Property |
| Cp,gas | 142.33 | J/mol×K | 561.07 | Joback Calculated Property |
| Cp,gas | 146.32 | J/mol×K | 593.93 | Joback Calculated Property |
| η | [0.0004283; 0.0034494] | Pa×s | [233.34; 396.77] |
|
| η | 0.0034494 | Pa×s | 233.34 | Joback Calculated Property |
| η | 0.0020316 | Pa×s | 260.58 | Joback Calculated Property |
| η | 0.0013226 | Pa×s | 287.82 | Joback Calculated Property |
| η | 0.0009274 | Pa×s | 315.06 | Joback Calculated Property |
| η | 0.0006881 | Pa×s | 342.29 | Joback Calculated Property |
| η | 0.0005335 | Pa×s | 369.53 | Joback Calculated Property |
| η | 0.0004283 | Pa×s | 396.77 | Joback Calculated Property |
| ΔvapH | 49.60 | kJ/mol | 396.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [335.89; 472.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58368e+01 | |||
| Coefficient B | -4.45933e+03 | |||
| Coefficient C | -4.91000e+01 | |||
| Temperature range, min. | 335.89 | |||
| Temperature range, max. | 472.78 | |||
| Pvap | 1.33 | kPa | 335.89 | Calculated Property |
| Pvap | 2.92 | kPa | 351.10 | Calculated Property |
| Pvap | 5.92 | kPa | 366.31 | Calculated Property |
| Pvap | 11.27 | kPa | 381.52 | Calculated Property |
| Pvap | 20.27 | kPa | 396.73 | Calculated Property |
| Pvap | 34.70 | kPa | 411.94 | Calculated Property |
| Pvap | 56.89 | kPa | 427.15 | Calculated Property |
| Pvap | 89.78 | kPa | 442.36 | Calculated Property |
| Pvap | 136.95 | kPa | 457.57 | Calculated Property |
| Pvap | 202.66 | kPa | 472.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,3-dichloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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