Mono-N-Hexyl Phthalate

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Properties Simple | Detailed

Formula C14H18O4
IUPAC Name 2-hexoxycarbonylbenzoic acid
Molecular Mass 250.290 g·mol−1
Heat of Formation -727.7 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 312.75 Å 3
Surface Area 295.19 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenedicarboxylic acid, monohexyl ester
  • 2-(hexoxy-oxomethyl)benzoic acid
  • cbdive_005259
  • hexyl hydrogen phthalate
CAS Number(s)
  • 24539-57-9
InChIKey XOSNGXNHDRYFEF-UHFFFAOYSA-N
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Elements H C O