Hexyl Chlorocarbonate

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Properties Simple | Detailed

Formula C7H13ClO2
IUPAC Name hexyl carbonochloridate
Molecular Mass 164.630 g·mol−1
Heat of Formation -498.7 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 206.99 Å 3
Surface Area 213.95 Å 2
HOMO Energy -11.47 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry Cs
Synonyms
  • carbonochloridic acid, hexyl ester
  • chloroformic acid hexyl ester
  • chloroformic acid n-hexyl ester
  • formic acid, chloro-, hexyl ester
  • hexyl chloroformate
  • hexyl chloromethanoate
  • n-hexyl chloroformate
CAS Number(s)
  • 6092-54-2
InChIKey KIWBRXCOTCXSSZ-UHFFFAOYSA-N
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Elements H C O Cl