S-Pentyl 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C12H24OS
IUPAC Name s-pentyl 5-methylhexanethioate
Molecular Mass 216.383 g·mol−1
Heat of Formation -395.5 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 307.77 Å 3
Surface Area 298.7 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey XNGWFTZETUHAIU-UHFFFAOYSA-N
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