Isohexanol

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Properties Simple | Detailed

Formula C6H14O
IUPAC Name 4-methylpentan-1-ol
Molecular Mass 102.175 g·mol−1
Heat of Formation -320.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 156.83 Å 3
Surface Area 163.37 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy 5.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-pentanol, 4-methyl-
  • 1-pentanol, 4-methyl- (9ci)
  • 2-methyl-5-pentanol
  • 4-methyl-1-pentanol
  • 4-methylpentanol
  • hexanol, branched and linear
  • iso-hexanol
  • isohexyl alcohol
  • pentanol, 4-methyl-
CAS Number(s)
  • 1320-98-5
  • 68526-79-4
  • 626-89-1
InChIKey PCWGTDULNUVNBN-UHFFFAOYSA-N
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Elements H C O