1,4-Butynediol

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Properties Simple | Detailed

Formula C4H6O2
IUPAC Name but-2-yne-1,4-diol
Molecular Mass 86.089 g·mol−1
Heat of Formation -157.5 ± 16.7 kJ·mol−1
Dipole Moment 1.63 ± 1.08 D
Volume 109.81 Å 3
Surface Area 129.79 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-butinodiol [spanish]
  • 1,4-butynediol (van)
  • 1,4-butynediol [un2716] [poison]
  • 1,4-dihydroxy-2-butyne
  • 1,4-dimethoxyacetylene
  • 2-butin-1,4-diol [czechoslovakia]
  • 2-butyne-1,4-diol
  • 2-butynediol
  • agrisynth b3d
  • bis(hydroxymethyl)acetylene
  • buta-1,3-diyne-1,4-diol
  • butynediol
CAS Number(s)
  • 110-65-6
InChIKey DLDJFQGPPSQZKI-UHFFFAOYSA-N
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