Octyl 4-Chloro-3-Oxobutanoate

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Properties Simple | Detailed

Formula C12H21ClO3
IUPAC Name octyl 4-chloro-3-oxo-butanoate
Molecular Mass 248.746 g·mol−1
Heat of Formation -717.0 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 315.45 Å 3
Surface Area 313.76 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-3-keto-butyric acid octyl ester
  • 4-chloro-3-oxobutanoic acid octyl ester
  • 4-oca
  • butanoic acid, 4-chloro-3-oxo-, octyl ester
  • octyl-4-chloroacetoacetate
CAS Number(s)
  • 41051-21-2
InChIKey QVBGSRKQOYZMLR-UHFFFAOYSA-N
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Elements H C O Cl