Q1X4&2&1Q

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Properties Simple | Detailed

Formula C9H20O2
IUPAC Name 2-butyl-2-ethyl-propane-1,3-diol
Molecular Mass 160.254 g·mol−1
Heat of Formation -554.1 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 230.64 Å 3
Surface Area 212.68 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2-butyl-2-ethyl-
  • 2-butyl-2-ethyl-1,3-propanediol
  • 2-butyl-2-ethylpropane-1,3-diol
  • 2-butyl-2-ethylpropanediol
  • 2-ethyl-2-butyl-1,3-propandeiol
  • 2-ethyl-2-butyl-1,3-propanediol
  • 2-ethyl-2-butylpropanediol-1,3
  • 3,3-bis(hydroxymethyl)heptane
  • bep
  • caswell no. 129
  • epa pesticide chemical code 041003
  • ls-120206
CAS Number(s)
  • 115-84-4
  • 29855-01-4
InChIKey DSKYSDCYIODJPC-UHFFFAOYSA-N
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