Chemical Properties of Ethanone, 1-(4-methylphenyl)- (CAS 122-00-9)

Ethanone, 1-(4-methylphenyl)-

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InChI
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
InChI Key
GNKZMNRKLCTJAY-UHFFFAOYSA-N
Formula
C9H10O
SMILES
CC(=O)c1ccc(C)cc1
Molecular Weight1
134.18
CAS
122-00-9
Other Names
  • (4-Methylphenyl) methyl ketone
  • 1-(4-Methylphenyl)-1-ethanone
  • 1-(4-methylphenyl)-ethanone
  • 1-Acetyl-4-methylbenzene
  • 1-Methyl-4-acetylbenzene
  • 1-p-Tolylethanone
  • 4'-Methylacetophenone
  • 4-Acetyltoluene
  • 4-Methylacetophenone
  • Acetophenone, 4'-methyl-
  • Melilotal
  • Methyl p-tolyl ketone
  • NSC 9401
  • p-Acetotoluene
  • p-Acetyltoluene
  • p-Methylacetophenone
  • para-Methyl-acetophenone
Sources

Physical Properties

Property Value Unit Source
PAff 875.50 kJ/mol NIST
BasG 843.60 kJ/mol NIST
Δf -1.24 kJ/mol Joback Calculated Property
Δfgas -116.61 kJ/mol Joback Calculated Property
Δfus 14.32 kJ/mol Joback Calculated Property
Δvap 45.31 kJ/mol Joback Calculated Property
IE [8.85; 9.38] eV Show Hide
IE 9.17 ± 0.02 eV NIST
IE 8.85 eV NIST
IE 9.14 eV NIST
IE 9.38 eV NIST
IE 9.12 eV NIST
logPoct/wat 2.198 Crippen Calculated Property
Pc 3448.03 kPa Joback Calculated Property
Tboil 499.20 K NIST
Tboil 498.20 K NIST
Tc 710.50 K Joback Calculated Property
Tfus 208.75 ± 0.40 K NIST
Vc 0.438 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.60 J/mol×K 490.85 Joback Calculated Property
η 0.0002609 Pa×s 490.85 Joback Calculated Property
ΔvapH 59.60 kJ/mol 310.5 NIST

Molecular Descriptors

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

Similar Compounds

Ethanone, 1-(4-ethylphenyl)-. Ethanone, 1,1'-(1,4-phenylene)bis-. Ethanone, 1-[4-(1-methylethyl)phenyl]-. Acetophenone. 4-N-Propylacetophenone. 4'-(.BETA.-chloroethyl)acetophenone. Benzaldehyde, 4-ethyl-. 4-ethylbenzaldehyde. Ethanone, 2-bromo-1-(4-methylphenyl)-. Benzonitrile, 4-acetyl-. Acetophenone, 4',4'''-ethylenedi-. Ethanone, 1-[4-(2-phenylethyl)phenyl]-. 4'-Methylpropiophenone. Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-. p-Isobutylacetophenone.

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