- InChI
- InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
- InChI Key
- BULLHNJGPPOUOX-UHFFFAOYSA-N
- Formula
- C3H5ClO
- SMILES
- CC(=O)CCl
- Molecular Weight1
- 92.52
- CAS
- 78-95-5
- Other Names
-
- 1-Chloro-2-propanone
- 1-Chloropropanone
- 3-Chloro-2-propanone
- A-Stoff
- Acetone, chloro-
- Acetonyl chloride
- CH3COCH2Cl
- Chloracetone
- Chloro-2-propanone
- Chloroacetone
- Chloromethyl methyl ketone
- Chloropropanone
- Monochloracetone
- Monochloroacetone
- NSC 30673
- Tonite
- UN 1695
- «alpha»-Chloroacetone
- «alpha»-Chloroacetone
- 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° | -166.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.40 | kJ/mol | Joback Calculated Property |
| IE | [9.88; 10.00] | eV |
|
| IE | 9.92 ± 0.03 | eV | NIST |
| IE | 9.98 ± 0.01 | eV | NIST |
| IE | 10.00 ± 0.01 | eV | NIST |
| IE | 9.98 ± 0.13 | eV | NIST |
| IE | 9.91 ± 0.03 | eV | NIST |
| IE | 9.88 | eV | NIST |
| IE | 9.93 ± 0.02 | eV | NIST |
| log10WS | -0.51 | Crippen Calculated Property | |
| logPoct/wat | 0.814 | Crippen Calculated Property | |
| McVol | 66.940 | ml/mol | McGowan Calculated Property |
| Pc | 4565.38 | kPa | Joback Calculated Property |
| Inp | [627.00; 683.00] |
|
|
| Inp | 683.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | Outlier 627.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 677.00 | NIST | |
| Tboil | 393.20 | K | NIST |
| Tc | 547.77 | K | Joback Calculated Property |
| Tfus | 203.42 | K | Joback Calculated Property |
| Vc | 0.259 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.49; 128.69] | J/mol×K | [359.34; 547.77] |
|
| Cp,gas | 99.49 | J/mol×K | 359.34 | Joback Calculated Property |
| Cp,gas | 104.90 | J/mol×K | 390.75 | Joback Calculated Property |
| Cp,gas | 110.08 | J/mol×K | 422.15 | Joback Calculated Property |
| Cp,gas | 115.05 | J/mol×K | 453.56 | Joback Calculated Property |
| Cp,gas | 119.80 | J/mol×K | 484.96 | Joback Calculated Property |
| Cp,gas | 124.35 | J/mol×K | 516.37 | Joback Calculated Property |
| Cp,gas | 128.69 | J/mol×K | 547.77 | Joback Calculated Property |
| η | [0.0003546; 0.0030601] | Pa×s | [203.42; 359.34] |
|
| η | 0.0030601 | Pa×s | 203.42 | Joback Calculated Property |
| η | 0.0017433 | Pa×s | 229.41 | Joback Calculated Property |
| η | 0.0011136 | Pa×s | 255.39 | Joback Calculated Property |
| η | 0.0007728 | Pa×s | 281.38 | Joback Calculated Property |
| η | 0.0005704 | Pa×s | 307.37 | Joback Calculated Property |
| η | 0.0004415 | Pa×s | 333.35 | Joback Calculated Property |
| η | 0.0003546 | Pa×s | 359.34 | Joback Calculated Property |
| ΔvapH | 40.10 | kJ/mol | 354.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [289.79; 416.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73466e+01 | |||
| Coefficient B | -5.18459e+03 | |||
| Coefficient C | 1.41300e+01 | |||
| Temperature range, min. | 289.79 | |||
| Temperature range, max. | 416.66 | |||
| Pvap | 1.33 | kPa | 289.79 | Calculated Property |
| Pvap | 2.84 | kPa | 303.89 | Calculated Property |
| Pvap | 5.67 | kPa | 317.98 | Calculated Property |
| Pvap | 10.71 | kPa | 332.08 | Calculated Property |
| Pvap | 19.24 | kPa | 346.18 | Calculated Property |
| Pvap | 33.08 | kPa | 360.27 | Calculated Property |
| Pvap | 54.68 | kPa | 374.37 | Calculated Property |
| Pvap | 87.24 | kPa | 388.47 | Calculated Property |
| Pvap | 134.87 | kPa | 402.56 | Calculated Property |
| Pvap | 202.65 | kPa | 416.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-chloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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