S-(2,2-Dimethylbutyl) 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C13H26OS
IUPAC Name s-(2,2-dimethylbutyl) 5-methylhexanethioate
Molecular Mass 230.410 g·mol−1
Heat of Formation -413.8 ± 16.7 kJ·mol−1
Dipole Moment 0.94 ± 1.08 D
Volume 326.81 Å 3
Surface Area 301.78 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey SRZWJFLNLFJCBO-UHFFFAOYSA-N
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Elements H C S O