Chemical Properties of Acetonitrile, trichloro- (CAS 545-06-2)

Acetonitrile, trichloro-

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InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6
InChI Key
DRUIESSIVFYOMK-UHFFFAOYSA-N
Formula
C2Cl3N
SMILES
N#CC(Cl)(Cl)Cl
Molecular Weight1
144.39
CAS
545-06-2
Other Names
  • 2,2,2-trichloroacetonitrile
  • Acetonitrile, 2,2,2-trichloro-
  • CCl3CN
  • Cyanotrichloromethane
  • NSC 66405
  • Nitrile trichloracetique
  • Trichlor-acetonitril
  • Trichlormethylkyanid
  • Trichloroacetonitrile
  • Trichloroethanenitrile
  • Trichloromethyl cyanide
  • Trichloromethylnitrile
  • Trichlouracetonitril
  • Tritox
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Physical Properties

Property Value Unit Source
PAff 723.20 kJ/mol NIST
BasG 692.60 kJ/mol NIST
EA 0.30 ± 0.20 eV NIST
Δf 66.19 kJ/mol Joback Calculated Property
Δfgas 24.30 kJ/mol Joback Calculated Property
Δfus 7.62 kJ/mol Joback Calculated Property
Δvap 42.38 kJ/mol Joback Calculated Property
IE [11.89; 11.96] eV Show Hide
IE 11.89 eV NIST
IE 11.96 eV NIST
log10WS [-2.17; -2.17]   Show Hide
log10WS -2.17 Aq. Sol...
log10WS -2.17 Estimat...
logPoct/wat 1.880 Crippen Calculated Property
McVol 77.140 ml/mol McGowan Calculated Property
Pc 4288.66 kPa Joback Calculated Property
Inp [662.00; 668.00]   Show Hide
Inp 662.00 NIST
Inp 668.00 NIST
Inp 662.00 NIST
Inp 668.00 NIST
Tboil [356.70; 357.00] K Show Hide
Tboil 357.00 ± 2.00 K NIST
Tboil 356.70 K NIST
Tc 690.30 K Joback Calculated Property
Tfus 230.48 K Aq. Sol...
Vc 0.309 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [107.90; 119.81] J/mol×K [456.30; 690.30] Show Hide
Cp,gas 107.90 J/mol×K 456.30 Joback Calculated Property
Cp,gas 110.75 J/mol×K 495.30 Joback Calculated Property
Cp,gas 113.21 J/mol×K 534.30 Joback Calculated Property
Cp,gas 115.31 J/mol×K 573.30 Joback Calculated Property
Cp,gas 117.08 J/mol×K 612.30 Joback Calculated Property
Cp,gas 118.57 J/mol×K 651.30 Joback Calculated Property
Cp,gas 119.81 J/mol×K 690.30 Joback Calculated Property
ΔvapH [34.70; 35.10] kJ/mol [322.50; 323.00] Show Hide
ΔvapH 34.70 kJ/mol 322.50 NIST
ΔvapH 35.10 kJ/mol 323.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.00; 202.66] kPa [257.15; 382.67] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47887e+01
Coefficient B-3.31205e+03
Coefficient C-3.31930e+01
Temperature range, min.257.15
Temperature range, max.382.67
Pvap 1.00 kPa 257.15 Calculated Property
Pvap 2.38 kPa 271.10 Calculated Property
Pvap 5.14 kPa 285.04 Calculated Property
Pvap 10.26 kPa 298.99 Calculated Property
Pvap 19.09 kPa 312.94 Calculated Property
Pvap 33.49 kPa 326.88 Calculated Property
Pvap 55.85 kPa 340.83 Calculated Property
Pvap 89.08 kPa 354.78 Calculated Property
Pvap 136.68 kPa 368.72 Calculated Property
Pvap 202.66 kPa 382.67 Calculated Property

Similar Compounds

Propanedinitrile, dichloro-. Ethane, hexachloro-. Acetonitrile, dichloro-. Acetonitrile, dichlorofluoro-. Trichloroacetyl chloride. Chloral. Ethane, 1,1,1-trichloro-2,2,2-trifluoro-. Ethane, 1,1,1-trichloro-. Trichloromethyl radical. Methylidyne, cyano-. Pentachloro fluoro ethane. Carbon Tetrachloride. Cyanogen. Chloromethyl cyanide. Acetonitrile, chlorodifluoro-.

Find more compounds similar to Acetonitrile, trichloro-.

Sources

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