S-(1,1-Dimethylbutyl) 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C13H26OS
IUPAC Name s-(1,1-dimethylbutyl) 5-methylhexanethioate
Molecular Mass 230.410 g·mol−1
Heat of Formation -432.5 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 326.61 Å 3
Surface Area 300.02 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey AWWOAZVFLGBPCZ-UHFFFAOYSA-N
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Elements H C S O