Chemical Properties of 1-Butanone, 3-methyl-1-phenyl- (CAS 582-62-7)

1-Butanone, 3-methyl-1-phenyl-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key
HEOVGVNITGAUKL-UHFFFAOYSA-N
Formula
C11H14O
SMILES
CC(C)CC(=O)c1ccccc1
Molecular Weight1
162.23
CAS
582-62-7
Other Names
  • 1-Phenyl-3-methyl-1-butanone
  • 3-Methyl-1-phenyl-1-butanone
  • Isobutyl phenyl ketone
  • Isovalerophenone
Sources

Physical Properties

Property Value Unit Source
Δf 22.79 kJ/mol Joback Calculated Property
Δfgas -160.70 ± 2.30 kJ/mol NIST
Δfliquid -220.20 ± 1.50 kJ/mol NIST
Δfus 16.36 kJ/mol Joback Calculated Property
Δvap 59.50 ± 1.70 kJ/mol NIST
Δvap 59.50 kJ/mol NIST
logPoct/wat 2.915 Crippen Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 509.70 K NIST
Tc 747.39 K Joback Calculated Property
Tfus 275.08 K Joback Calculated Property
Vc 0.543 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 321.92 J/mol×K 531.19 Joback Calculated Property
η 0.0002294 Pa×s 531.19 Joback Calculated Property
ΔvapH 55.70 kJ/mol 416.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
-CH3 2

Similar Compounds

1-Butanone, 1-phenyl-. Valerophenone. 1-(4-Tolyl)-1-butanone. .GAMMA.-chlorobutyrophenone. Isocaprophenone. 1-Butanone, 1,4-diphenyl-. «beta»-Cyanopropiophenone. 1,5-Pentanedione, 3-methyl-1,5-diphenyl-. 1-Hexanone, 1-phenyl-. 3-Methyl-1-[4-(chloromethyl)phenyl]-1-butanone. 1-Butanone, 2-methyl-1-phenyl-. Heptanophenone. 1,4-Butanedione, 1,4-diphenyl-. 1-Propanone, 1-phenyl-. Cyclopropyl phenyl ketone.

Find more compounds similar to 1-Butanone, 3-methyl-1-phenyl-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.