Chemical Properties of Acetophenone, 3'-chloro- (CAS 99-02-5)

Acetophenone, 3'-chloro-

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InChI
InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChI Key
UUWJBXKHMMQDED-UHFFFAOYSA-N
Formula
C8H7ClO
SMILES
CC(=O)c1cccc(Cl)c1
Molecular Weight1
154.59
CAS
99-02-5
Other Names
  • 1-(3-Chlorophenyl)ethanone
  • 3'-Chloroacetophenone
  • 3'-Chloroacetylphenone
  • Ethanone, 1-(3-chlorophenyl)-
  • m-Chloroacetophenone
Sources

Physical Properties

Property Value Unit Source
PAff 846.90 kJ/mol NIST
BasG 815.10 kJ/mol NIST
EA 0.62 ± 0.09 eV NIST
EA 0.58 ± 0.09 eV NIST
EA 0.58 ± 0.01 eV NIST
Δf -21.59 kJ/mol Joback Calculated Property
Δfgas -111.71 kJ/mol Joback Calculated Property
Δfus 15.92 kJ/mol Joback Calculated Property
Δvap 47.47 kJ/mol Joback Calculated Property
IE 9.50 ± 0.10 eV NIST
logPoct/wat 2.54 Crippen Calculated Property
Pc 3699.95 kPa Joback Calculated Property
Tboil 501.20 K NIST
Tc 734.29 K Joback Calculated Property
Tfus 298.71 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 216.19 J/mol×K 505.4 Joback Calculated Property
η 0.00 Pa×s 505.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
>C=O (nonring) 1
-CH3 1
-Cl 1
=CH- (ring) 4

Similar Compounds

Ethanone, 1-(3,4-dichlorophenyl)-. 3-Chlorobenzoylacetonitrile. 2,5-Dichloroacetophenone. 3-Chloro-4-fluoroacetophenone. p-Chloroacetophenone. Benzene, 1-chloro-3-ethyl-. Ethanone, 1-(5-chloro-2-hydroxyphenyl)-. Benzaldehyde, 3-chloro-. Ethanone, 1-(2-chlorophenyl)-. 2-(3-Chlorophenyl)ethylamine. 3,4-Dichlorobenzoylacetonitrile. 1-Bromo-2-(3-chlorophenyl)ethane. Benzeneethanol, 3-chloro-. Ethanone, 1-(2,4,5-trichlorophenyl)-. Benzeneacetonitrile, 3-chloro-.

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