Isophorone Diisocyanate

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Properties Simple | Detailed

Formula C12H18N2O2
IUPAC Name (1s,5r)-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
Molecular Mass 222.284 g·mol−1
Heat of Formation -328.9 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 291.21 Å 3
Surface Area 253.54 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
  • (1s,5r)-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
InChIKey NIMLQBUJDJZYEJ-ZYHUDNBSSA-N
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