Chemical Properties of 2-Propanone, 1-chloro- (CAS 78-95-5)

2-Propanone, 1-chloro-

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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

Physical Properties

Property Value Unit Source
Δf -166.47 kJ/mol Joback Calculated Property
Δfgas -233.57 kJ/mol Joback Calculated Property
Δfus 9.32 kJ/mol Joback Calculated Property
Δvap 33.40 kJ/mol Joback Calculated Property
IE [9.88; 10.00] eV Show Hide
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]   Show Hide
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] Show Hide
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] Show Hide
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... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.73466e+01
Coefficient B-5.18459e+03
Coefficient C1.41300e+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

2-Propanone, 1,3-dichloro-. 2-Propanone, 1,1-dichloro-. 2-Propanone, 1,1,3-trichloro-. Acetone-D6. Acetone. 2-Oxopropyl. Pyruvyl chloride or 2-oxo-propionyl chloride. 2-Propanone, 1,1,1-trichloro-. 2-Propanone, 1,1,1,3-tetrachloro-. Methyl glyoxal. Propane, 1-chloro-2,2-dimethyl-. n-Propyl chloride. 2-Propanone,1-chloro-3-dizao. 2-Butanone, 1-chloro-. 2-Propanone, 1-fluoro-.

Find more compounds similar to 2-Propanone, 1-chloro-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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