Bis[(3S)-3,5,5-Trimethylhexyl] Phthalate

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Properties Simple | Detailed

Formula C26H42O4
IUPAC Name bis[(3s)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate
Molecular Mass 418.609 g·mol−1
Heat of Formation -987.7 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 568.87 Å 3
Surface Area 403.95 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • benzene-1,2-dicarboxylic acid bis[(3s)-3,5,5-trimethylhexyl] ester
  • bis[(3s)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate
InChIKey GDJOUZYAIHWDCA-WOJBJXKFSA-N
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Elements H C O