S-(3,3-Dimethylbutyl) 3,3-Dimethylpentanethioate

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Properties Simple | Detailed

Formula C13H26OS
IUPAC Name s-(3,3-dimethylbutyl) 3,3-dimethylpentanethioate
Molecular Mass 230.410 g·mol−1
Heat of Formation -419.7 ± 16.7 kJ·mol−1
Dipole Moment 0.59 ± 1.08 D
Volume 326.4 Å 3
Surface Area 293.98 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry Cs
InChIKey ZEQJHMLKZBBGBW-UHFFFAOYSA-N
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Elements H C S O