S-(2,2-Dimethylbutyl) 5-Methylhexanethioate
Properties
Property | Value |
---|---|
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 |