4,4-Dimethyl-1-Hexyne

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Properties Simple | Detailed

Formula C8H14
IUPAC Name 4,4-dimethylhex-1-yne
Molecular Mass 110.197 g·mol−1
Heat of Formation 88.4 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 177.51 Å 3
Surface Area 171.45 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-hexyne, 4,4-dimethyl
  • benzo[d]1,3-dioxin, 6-carboxylic acid-2,4-dihydro-8-(1-oxido-2-pyridylthiomethyl)-, ethyl ester
  • ethyl 8-([(1-oxido-2-pyridinyl)sulfanyl]methyl)-4h-1,3-benzodioxine-6-carboxylate
InChIKey NGPYJCZSRIALNR-UHFFFAOYSA-N
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Elements H C