4-Methylphthalonitrile

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Properties Simple | Detailed

Formula C9H6N2
IUPAC Name 4-methylphthalonitrile
Molecular Mass 142.157 g·mol−1
Heat of Formation 324.4 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 181.05 Å 3
Surface Area 184.19 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 63089-50-9
InChIKey MDXGRFMFORMPGT-UHFFFAOYSA-N
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Elements H C N