Propyl Carbonochloridate

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Properties Simple | Detailed

Formula C4H7ClO2
IUPAC Name propyl carbonochloridate
Molecular Mass 122.550 g·mol−1
Heat of Formation -435.3 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 138.9 Å 3
Surface Area 153.56 Å 2
HOMO Energy -11.58 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry Cs
Synonyms
  • carbonochloridic acid, propyl ester
  • chloroformic acid propyl ester
  • formic acid, chloro-, propyl ester
  • n-propyl chloroformate
  • n-propyl chloroformate [un2740] [poison]
  • propyl chlorocarbonate
  • propyl chloroformate
  • propyl chloromethanoate
CAS Number(s)
  • 109-61-5
InChIKey QQKDTTWZXHEGAQ-UHFFFAOYSA-N
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Elements H C O Cl