Chemical Properties of Phenylpropargyl aldehyde (CAS 2579-22-8)

Phenylpropargyl aldehyde

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InChI
InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChI Key
IDASOVSVRKONFS-UHFFFAOYSA-N
Formula
C9H6O
SMILES
O=CC#Cc1ccccc1
Molecular Weight1
130.14
CAS
2579-22-8
Other Names
  • 2-Propynal, 3-phenyl-
  • 3-Phenyl-2-propynal
  • 3-Phenylpropynal
  • Benzenepropiolaldehyde
  • NSC 47568
  • Phenylacetylenecarboxaldehyde
  • Phenylpropargyl aldehyde
  • Phenylpropiolaldehyde
  • Propiolaldehyde, phenyl-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4527.90 kJ/mol NIST
Δf 240.59 kJ/mol Joback Calculated Property
Δfgas 194.16 kJ/mol Joback Calculated Property
Δfliquid 128.80 ± 4.00 kJ/mol NIST
Δfliquid -104.00 kJ/mol NIST
Δfus 18.52 kJ/mol Joback Calculated Property
Δvap 46.78 kJ/mol Joback Calculated Property
logPoct/wat 1.24 Crippen Calculated Property
Pc 4345.39 kPa Joback Calculated Property
Tboil 391.20 K NIST
Tboil 400.70 K NIST
Tc 732.64 K Joback Calculated Property
Tfus 365.71 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 201.95 J/mol×K 489.66 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, 1-propynyl-. 4-Phenyl-3-butyn-2-one. Phenylpropiolic acid. Phenylpropiolamide. Benzene, 1-butynyl-. 3-Phenyl-2-propyn-1-ol. Benzene, 1-methyl-4-(1-propynyl)-. 1-Phenylpenta-1-yn-3-one. 1-Phenyl-1-pentyne. Phenylpropynoic acid methyl ester. Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-. Benzene, 1-hexynyl-. 1-Phenyl-1-heptyne. 1-Phenyl-1-octyne. Ethylphenylpropiolate.

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