- InChI
- InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
- InChI Key
- CSVFWMMPUJDVKH-UHFFFAOYSA-N
- Formula
- C3H4Cl2O
- SMILES
- CC(=O)C(Cl)Cl
- Molecular Weight1
- 126.97
- CAS
- 513-88-2
- Other Names
-
- 1,1-Dichloro-2-propanone
- 1,1-Dichloroacetone
- 1,1-Dichloropropanone
- DCP
- Dichloromethyl methyl ketone
- «alpha»,«alpha»-Dichloroacetone
- «alpha»,«alpha»-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).
- 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° | -180.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.27 | Crippen Calculated Property | |
| logPoct/wat | 1.379 | Crippen Calculated Property | |
| McVol | 79.180 | ml/mol | McGowan Calculated Property |
| Pc | 4391.59 | kPa | Joback Calculated Property |
| Inp | [705.00; 714.00] |
|
|
| Inp | 707.20 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 707.00 | NIST | |
| Tboil | [390.70; 393.20] | K |
|
| Tboil | 390.70 | K | NIST |
| Tboil | 393.20 | K | NIST |
| Tc | 598.36 | K | Joback Calculated Property |
| Tfus | 218.34 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.90; 147.45] | J/mol×K | [396.33; 598.36] |
|
| Cp,gas | 118.90 | J/mol×K | 396.33 | Joback Calculated Property |
| Cp,gas | 124.33 | J/mol×K | 430.00 | Joback Calculated Property |
| Cp,gas | 129.47 | J/mol×K | 463.67 | Joback Calculated Property |
| Cp,gas | 134.35 | J/mol×K | 497.35 | Joback Calculated Property |
| Cp,gas | 138.97 | J/mol×K | 531.02 | Joback Calculated Property |
| Cp,gas | 143.33 | J/mol×K | 564.69 | Joback Calculated Property |
| Cp,gas | 147.45 | J/mol×K | 598.36 | Joback Calculated Property |
| η | [0.0004135; 0.0050802] | Pa×s | [218.34; 396.33] |
|
| η | 0.0050802 | Pa×s | 218.34 | Joback Calculated Property |
| η | 0.0026045 | Pa×s | 248.01 | Joback Calculated Property |
| η | 0.0015401 | Pa×s | 277.67 | Joback Calculated Property |
| η | 0.0010079 | Pa×s | 307.34 | Joback Calculated Property |
| η | 0.0007108 | Pa×s | 337.00 | Joback Calculated Property |
| η | 0.0005304 | Pa×s | 366.66 | Joback Calculated Property |
| η | 0.0004135 | Pa×s | 396.33 | Joback Calculated Property |
| ΔvapH | 35.80 | kJ/mol | 337.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.65] | kPa | [274.15; 423.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32647e+01 | |||
| Coefficient B | -2.95648e+03 | |||
| Coefficient C | -5.12670e+01 | |||
| Temperature range, min. | 274.15 | |||
| Temperature range, max. | 423.00 | |||
| Pvap | 1.00 | kPa | 274.15 | Calculated Property |
| Pvap | 2.50 | kPa | 290.69 | Calculated Property |
| Pvap | 5.55 | kPa | 307.23 | Calculated Property |
| Pvap | 11.19 | kPa | 323.77 | Calculated Property |
| Pvap | 20.82 | kPa | 340.31 | Calculated Property |
| Pvap | 36.22 | kPa | 356.84 | Calculated Property |
| Pvap | 59.52 | kPa | 373.38 | Calculated Property |
| Pvap | 93.19 | kPa | 389.92 | Calculated Property |
| Pvap | 139.93 | kPa | 406.46 | Calculated Property |
| Pvap | 202.65 | kPa | 423.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1-dichloro-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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