Chemical Properties of 3-Buten-2-one, 4-phenyl- (CAS 122-57-6)

3-Buten-2-one, 4-phenyl-

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InChI
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3
InChI Key
BWHOZHOGCMHOBV-UHFFFAOYSA-N
Formula
C10H10O
SMILES
CC(=O)C=Cc1ccccc1
Molecular Weight1
146.19
CAS
122-57-6
Other Names
  • 1-Buten-3-one-1-phenyl
  • 1-Phenyl-1-buten-3-one
  • 2-Phenylvinyl methyl ketone
  • 4-Phenyl-3-buten-2-one
  • 4-Phenyl-3-butene-2-one
  • 4-Phenylbut-3-en-2-one
  • 4-Phenylbutenone
  • Acetocinnamone
  • Benzalaceton
  • Benzalacetone
  • Benzylideneacetone
  • Ketone, methyl styryl
  • Methyl 2-phenylvinyl ketone
  • Methyl styryl ketone
  • Methyl «beta»-styryl ketone
  • NSC 5605
  • Styryl methyl ketone
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5282.30 kJ/mol NIST
Δcsolid -5262.20 kJ/mol NIST
Δf 97.03 kJ/mol Joback Calculated Property
Δfgas -48.10 ± 3.80 kJ/mol NIST
Δfsolid -102.00 kJ/mol NIST
Δfus 17.50 kJ/mol Joback Calculated Property
Δvap 46.83 kJ/mol Joback Calculated Property
IE [8.80; 8.80] eV Show Hide
IE 8.80 eV NIST
IE 8.80 eV NIST
IE 8.80 eV NIST
IE 8.80 ± 0.10 eV NIST
logPoct/wat 2.29 Crippen Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 534.20 K NIST
Tc 738.22 K Joback Calculated Property
Tfus 314.00 ± 3.00 K NIST
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 258.70 J/mol×K 512.91 Joback Calculated Property
η 0.00 Pa×s 512.91 Joback Calculated Property
ΔvapH 58.50 kJ/mol 444.0 NIST

Molecular Descriptors

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

Similar Compounds

(Z)-4-Phenylbut-3-en-2-one. 3-Buten-2-one, 4-phenyl-, (E)-. 1,4-Pentadien-3-one, 1,5-diphenyl-. 1,4-Pentadien-3-one, 1,5-diphenyl-, (Z,Z)-. trans,trans-Dibenzylideneacetone. 1-Penten-3-one, 1-phenyl-. 1-Phenyl-1-butene. (E)-1-Phenyl-1-butene. 2-Propenal, 3-phenyl-. Benzene, 1-butenyl-, (Z)-. (Z)-3-Phenylacrylaldehyde. Cinnamaldehyde, (E)-. 3-Buten-2-one, 4-(4-chlorophenyl)-. 1-(4-Hydroxybenzylidene)acetone. 3-Buten-2-one, 4-(4-iodophenyl)-.

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