(2-Phenyl-1-Butene-1,1-Diyl)Di-4,1-Phenylene Bis(3-Chloropropanoate)

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Properties Simple | Detailed

Formula C28H26Cl2O4
IUPAC Name [4-[1-[4-(3-chloropropanoyloxy)phenyl]-2-phenyl-but-1-enyl]phenyl] 3-chloropropanoate
Molecular Mass 497.410 g·mol−1
Heat of Formation -558.6 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 587.6 Å 3
Surface Area 469.71 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-bcppbe
  • 1,1-bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene
  • 3-chloropropanoic acid [4-[1-[4-(3-chloro-1-oxopropoxy)phenyl]-2-phenylbut-1-enyl]phenyl] ester
  • 3-chloropropionic acid [4-[1-[4-(3-chloropropanoyloxy)phenyl]-2-phenyl-but-1-enyl]phenyl] ester
  • [4-[1-[4-(3-chloropropanoyloxy)phenyl]-2-phenylbut-1-enyl]phenyl] 3-chloropropanoate
  • propanoic acid, 3-chloro-, (2-phenyl-1-butenylidene)di-4,1-phenylene ester
CAS Number(s)
  • 110008-58-7
InChIKey MMPVLYZMHSBLKY-UHFFFAOYSA-N
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Elements H C O Cl