Chemical Properties of 1-Phenylpenta-1-yn-3-one (CAS 19307-74-5)

1-Phenylpenta-1-yn-3-one

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InChI
InChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
InChI Key
XAJIQJSLJKBJTP-UHFFFAOYSA-N
Formula
C11H10O
SMILES
CCC(=O)C#Cc1ccccc1
Molecular Weight1
158.20
CAS
19307-74-5
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5804.90 kJ/mol NIST
Δf 228.03 kJ/mol Joback Calculated Property
Δfgas 125.88 kJ/mol Joback Calculated Property
Δfliquid 47.10 ± 5.00 kJ/mol NIST
Δfliquid -9.20 kJ/mol NIST
Δfus 23.01 kJ/mol Joback Calculated Property
Δvap 51.25 kJ/mol Joback Calculated Property
logPoct/wat 2.017 Crippen Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Tboil 540.63 K Joback Calculated Property
Tc 780.40 K Joback Calculated Property
Tfus 396.18 K Joback Calculated Property
Vc 0.511 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 285.67 J/mol×K 540.63 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Phenyl-3-butyn-2-one. Tert-butyl(phenylacetylenyl)ketone. Isovalerylphenylacetylene. 1-Phenyl-1-pentyne. Benzene, 1-hexynyl-. Phenylpropargyl aldehyde. 1-Phenyl-1-heptyne. 1-Phenyl-1-octyne. 1-Phenyl-1-nonyne. Benzene, 1-butynyl-. Phenylpropiolic acid. 6-Phenyl-5-hexyn-3-ol. Phenylpropiolamide. Benzene, 1-propynyl-. Phenylpropynoic acid methyl ester.

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