6-Methylheptyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C8H19O4P
IUPAC Name 6-methylheptyl dihydrogen phosphate
Molecular Mass 210.208 g·mol−1
Heat of Formation -1205.9 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 260.78 Å 3
Surface Area 256.88 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • isooctanol, dihydrogen phosphate
  • isooctyl alcohol, dihydrogen phosphate (8ci)
  • isooctyl dihydrogen phosphate
  • phosphoric acid, monoisooctyl ester
CAS Number(s)
  • 68311-11-5
  • 26403-12-3
InChIKey RQINQJTUMGQYOB-UHFFFAOYSA-N
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