Bis(Pentachlorophenyl) Oxalate

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Formula C14Cl10O4
IUPAC Name bis(2,3,4,5,6-pentachlorophenyl) oxalate
Molecular Mass 586.677 g·mol−1
Heat of Formation -669.5 ± 16.7 kJ·mol−1
Dipole Moment 0.92 ± 1.08 D
Volume 492.53 Å 3
Surface Area 403.4 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • b-pcpo
  • bis(2,3,4,5,6-pentachlorophenyl) ethanedioate
  • bis(pentachlorophenyl)oxalate
  • ethanedioic acid, bis(pentachlorophenyl) ester
  • oxalic acid bis(2,3,4,5,6-pentachlorophenyl) ester
CAS Number(s)
  • 1173-75-7
InChIKey OXTSSJOQCJZYLA-UHFFFAOYSA-N
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Elements C O Cl