Chemical Properties of 1-(4-Tolyl)-1-butanone (CAS 4160-52-5)

1-(4-Tolyl)-1-butanone

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InChI
InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChI Key
CIYAESDXUTVTAL-UHFFFAOYSA-N
Formula
C11H14O
SMILES
CCCC(=O)c1ccc(C)cc1
Molecular Weight1
162.23
CAS
4160-52-5
Other Names
  • 1-(4-Tolyl)-1-butanone
  • 1-Butanone, 1-(4-methylphenyl)-
  • 4-Methylbutyrophenone
  • Butyrophenone, 4'-methyl-
  • p-Methyl butyrophenone
Sources

Physical Properties

Property Value Unit Source
Δf 15.60 kJ/mol Joback Calculated Property
Δfgas -157.89 kJ/mol Joback Calculated Property
Δfus 19.50 kJ/mol Joback Calculated Property
Δvap 49.76 kJ/mol Joback Calculated Property
IE 8.80 ± 0.20 eV NIST
logPoct/wat 2.978 Crippen Calculated Property
Pc 2784.72 kPa Joback Calculated Property
Tboil 536.61 K Joback Calculated Property
Tc 749.19 K Joback Calculated Property
Tfus 302.60 K Joback Calculated Property
Vc 0.549 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 321.61 J/mol×K 536.61 Joback Calculated Property
η 0.0002365 Pa×s 536.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 2
>C=O (nonring) 1
-CH3 2
=CH- (ring) 4

Similar Compounds

4-METHYL-1-PENTANOYLBENZENE. 4'-Methylpropiophenone. 1-Butanone, 1-phenyl-. P-n-butylacetophenone. 1,4-Di-(p-methyl benzoyl)-butane. 1,2-Bis(4-butyrylphenyl)ethane. 1-Butanone, 3-methyl-1-phenyl-. Valerophenone. 1-Butanone, 1,4-diphenyl-. p-Pentylacetophenone. .GAMMA.-chlorobutyrophenone. 4-N-Propylacetophenone. «beta»-Cyanopropiophenone. p-Hexylacetophenone. 4-Toluoylacetonitrile.

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