S-Isobutyl 3-Methylbutanethioate

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Properties Simple | Detailed

Formula C9H18OS
IUPAC Name s-isobutyl 3-methylbutanethioate
Molecular Mass 174.304 g·mol−1
Heat of Formation -337.3 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 244.72 Å 3
Surface Area 230.01 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey JRGQKXYQCXDMBC-UHFFFAOYSA-N
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