Chemical Properties of 4-Phenyl-3-butyn-2-one (CAS 1817-57-8)

4-Phenyl-3-butyn-2-one

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InChI
InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
InChI Key
UPEUQDJSUFHFQP-UHFFFAOYSA-N
Formula
C10H8O
SMILES
CC(=O)C#Cc1ccccc1
Molecular Weight1
144.17
CAS
1817-57-8
Other Names
  • 1-Phenyl-1-butyn-3-one
  • 3-Butyn-2-one, 4-phenyl-
  • 4-phenylbut-3-yn-2-one
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5173.10 kJ/mol NIST
Δf 219.61 kJ/mol Joback Calculated Property
Δfgas 146.52 kJ/mol Joback Calculated Property
Δfliquid 94.70 ± 5.00 kJ/mol NIST
Δfliquid -63.60 kJ/mol NIST
Δfus 20.42 kJ/mol Joback Calculated Property
Δvap 49.03 kJ/mol Joback Calculated Property
logPoct/wat 1.63 Crippen Calculated Property
Pc 3791.65 kPa Joback Calculated Property
Tboil 351.50 ± 0.50 K NIST
Tboil 348.70 K NIST
Tc 762.42 K Joback Calculated Property
Tfus 384.91 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 241.97 J/mol×K 517.75 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1-Phenylpenta-1-yn-3-one. Phenylpropargyl aldehyde. Benzene, 1-butynyl-. Tert-butyl(phenylacetylenyl)ketone. 1-Phenyl-1-pentyne. Isovalerylphenylacetylene. Benzene, 1-hexynyl-. Phenylpropiolic acid. 1-Phenyl-1-heptyne. Benzene, 1-propynyl-. 1-Phenyl-1-octyne. Phenylpropiolamide. 1-Phenyl-1-nonyne. 3-Phenyl-2-propyn-1-ol. Benzene, 1-methyl-4-(1-propynyl)-.

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