Chemical Properties of Phenylpropynal (CAS 2579-22-8)

Phenylpropynal

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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
  • Phenylpropargyl aldehyde
  • 2-Propynal, 3-phenyl-
  • Benzenepropiolaldehyde
  • Phenylacetylenecarboxaldehyde
  • Phenylpropiolaldehyde
  • Propiolaldehyde, phenyl-
  • 3-Phenyl-2-propynal
  • 3-Phenylpropynal
  • NSC 47568

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 [-104.00; 128.80] kJ/mol Show Hide
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
log10WS -1.87 Crippen Calculated Property
logPoct/wat 1.237 Crippen Calculated Property
McVol 106.880 ml/mol McGowan Calculated Property
Pc 4345.39 kPa Joback Calculated Property
Tboil 489.66 K Joback Calculated Property
Tc 732.64 K Joback Calculated Property
Tfus 365.71 K Joback Calculated Property
Vc 0.410 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.95; 257.81] J/mol×K [489.66; 732.64] Show Hide
Cp,gas 201.95 J/mol×K 489.66 Joback Calculated Property
Cp,gas 213.11 J/mol×K 530.16 Joback Calculated Property
Cp,gas 223.48 J/mol×K 570.65 Joback Calculated Property
Cp,gas 233.09 J/mol×K 611.15 Joback Calculated Property
Cp,gas 241.99 J/mol×K 651.65 Joback Calculated Property
Cp,gas 250.22 J/mol×K 692.14 Joback Calculated Property
Cp,gas 257.81 J/mol×K 732.64 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [391.20; 400.70] K [1.70; 3.70] Show Hide
Tboilr 391.20 K 1.70 NIST
Tboilr 400.70 K 3.70 NIST

Similar Compounds

Benzene, 1-propynyl-. Phenylpropiolic acid. Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-. 4-Phenyl-3-butyn-2-one. Phenylpropiolamide. Propiolic acid, 3-phenyl-, methyl ester. 3-Phenyl-2-propyn-1-ol. Benzene, 1-butynyl-. Phenylethyne. Benzene, beta-deuteroethynyl-. Benzene, (bromoethynyl)-. Benzene,(chloroethynyl)-. Diphenylacetylene. Ethylphenylpropiolate. 1-Phenylpenta-1-yn-3-one.

Find more compounds similar to Phenylpropynal.

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