4-Ethynyltoluene

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Properties Simple | Detailed

Formula C9H8
IUPAC Name 1-ethynyl-4-methyl-benzene
Molecular Mass 116.160 g·mol−1
Heat of Formation 290.8 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 103.1 Å 3
Surface Area 116.45 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-ethynyl-4-methylbenzene
  • 4-methylphenylacetylene
  • benzene, 1-ethynyl-4-methyl-
  • benzene, 1-ethynyl-4-methyl- (9ci)
  • p-ethynyltoluene
  • p-methylphenylacetylene
  • p-tolylacetylene
  • toluene, p-ethynyl-
CAS Number(s)
  • 766-97-2
InChIKey KSZVOXHGCKKOLL-UHFFFAOYSA-N
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Elements H C