Chemical Properties of Acetaldehyde, trichloro- (CAS 75-87-6)

Acetaldehyde, trichloro-

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InChI
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChI Key
HFFLGKNGCAIQMO-UHFFFAOYSA-N
Formula
C2HCl3O
SMILES
O=CC(Cl)(Cl)Cl
Molecular Weight1
147.39
CAS
75-87-6
Other Names
  • 2,2,2-Trichloroacetaldehyde
  • 2,2,2-Trichloroethanal
  • Acetaldehyde, 2,2,2-trichloro-
  • Acetaldehyde, trichloro-
  • Anhydrous chloral
  • CCl3CHO
  • Cloralio
  • Grasex
  • Rcra waste number U034
  • Trichloracetaldehyde
  • Trichloroacetaldehyde
  • Trichloroethanal
Sources

Physical Properties

Property Value Unit Source
PAff 722.30 kJ/mol NIST
BasG 690.50 kJ/mol NIST
Δf -166.51 kJ/mol Joback Calculated Property
Δfgas -226.16 kJ/mol Joback Calculated Property
Δfliquid -218.10 kJ/mol NIST
Δfus 8.40 kJ/mol Joback Calculated Property
Δvap 41.00 kJ/mol NIST
IE 10.90 eV NIST
IE 10.88 eV NIST
logPoct/wat 1.56 Crippen Calculated Property
Pc 4903.92 kPa Joback Calculated Property
Tboil 371.00 K NIST
Tboil 370.90 ± 0.50 K NIST
Tboil 369.55 ± 0.30 K NIST
Tc 618.25 K Joback Calculated Property
Tfus 246.48 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 110.05 J/mol×K 402.88 Joback Calculated Property
Cp,liquid 151.50 J/mol×K 298.0 NIST
η 0.00 Pa×s 402.88 Joback Calculated Property
ΔvapH 36.60 kJ/mol 303.0 NIST

Molecular Descriptors

Joback and Reid Groups
-Cl 3
>C< 1
O=CH- (aldehyde) 1

Similar Compounds

Dichloroacetaldehyde. Trichloroacetyl chloride. 2-Propanone, 1,1,1-trichloro-. Ethane, 1,1,1-trichloro-. Acetic acid, trichloro-. Acetamide, 2,2,2-trichloro-. Acetyl chloride, dichloro-. Acetaldehyde, chloro-. 2-Propanone, 1,1-dichloro-. 1,1,1,3-Tetrachloro-2-propanone. Ethane, 1,1,1,2-tetrachloro-. Acetic acid, dichloro-. Acetamide, 2,2-dichloro-. Dichlorothiolacetic acid. Propane, 1,1,1-trichloro-.

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