7-Methyloctanoyl Phenyl Sulfate

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Properties Simple | Detailed

Formula C15H22O5S
IUPAC Name phenoxysulfonyl 7-methyloctanoate
Molecular Mass 314.397 g·mol−1
Heat of Formation -937.3 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 380.0 Å 3
Surface Area 307.22 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methylcaprylic acid phenoxysulfonyl ester
  • 7-methyloctanoic acid phenoxysulfonyl ester
  • isononanoyl hydroxybenzene sulphonate
  • isononanoyl oxybenzene sulfonate
  • octanoic acid, 7-methyl-, anhydride with phenyl hydrogen sulfate
CAS Number(s)
  • 123354-92-7
InChIKey PATMLLNMTPIUSY-UHFFFAOYSA-N
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