- 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-Dichloropropanone
- 1,1-dichloro-2-propanone
- 1,1-dichloroacetone
- DCP
- Dichloromethyl methyl ketone
- «alpha»,«alpha»-Dichloroacetone
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2964 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.43 | Relay (1.0) 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 | 707.20 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 705.00 | NIST | |
| Tboil | [390.70; 393.20] | K |
|
| Tboil | 390.70 | K | NIST |
| Tboil | 393.20 | K | NIST |
| Tc | 613.79 | K | Relay (1.0) Calculated Property |
| Tfus | 240.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.286 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 35.80 | kJ/mol | 337.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.54; 180.20] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.16200e+01 | |||
| Coefficient B | 2.80320e-01 | |||
| Coefficient C | -1.64700e-04 | |||
| Coefficient D | 3.29600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 96.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 136.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 147.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 156.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 163.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 170.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 175.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 180.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050802; 0.0003499] | Pa×s | [218.34; 419.07] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08680e+01 | |||
| Coefficient B | 1.21957e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 218.34 | |||
| Temperature range, max. | 419.07 | |||
| η | 0.0050802 | Pa×s | 218.34 | Calculated Property |
| η | 0.0030273 | Pa×s | 240.64 | Calculated Property |
| η | 0.0019696 | Pa×s | 262.95 | Calculated Property |
| η | 0.0013705 | Pa×s | 285.25 | Calculated Property |
| η | 0.0010051 | Pa×s | 307.55 | Calculated Property |
| η | 0.0007687 | Pa×s | 329.85 | Calculated Property |
| η | 0.0006083 | Pa×s | 352.16 | Calculated Property |
| η | 0.0004949 | Pa×s | 374.46 | Calculated Property |
| η | 0.0004121 | Pa×s | 396.76 | Calculated Property |
| η | 0.0003499 | Pa×s | 419.07 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.65] | kPa | [274.15; 423.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [2.64; 101.46] | kPa | [292.00; 391.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36378e+01 | |||
| Coefficient B | -3.12109e+03 | |||
| Coefficient C | -4.56080e+01 | |||
| Reference | Smith and Thornsberry, 1970 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 292.00 | |||
| Temperature range, max. | 391.70 | |||
| Pvap | 2.64 | kPa | 292.00 | Calculated Property |
| Pvap | 4.55 | kPa | 303.08 | Calculated Property |
| Pvap | 7.51 | kPa | 314.16 | Calculated Property |
| Pvap | 11.89 | kPa | 325.23 | Calculated Property |
| Pvap | 18.20 | kPa | 336.31 | Calculated Property |
| Pvap | 26.99 | kPa | 347.39 | Calculated Property |
| Pvap | 38.93 | kPa | 358.47 | Calculated Property |
| Pvap | 54.75 | kPa | 369.54 | Calculated Property |
| Pvap | 75.30 | kPa | 380.62 | Calculated Property |
| Pvap | 101.46 | kPa | 391.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1-dichloro-.
Mixtures
Sources
- Cheméo Relay (1.0)
- 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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