Formula |
C10H20O2 |
IUPAC Name |
isohexyl butanoate |
Molecular Mass |
172.265 g·mol−1 |
Heat of Formation |
-563.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.03 ± 1.08 D |
Volume |
246.74 Å 3 |
Surface Area |
246.77 Å 2 |
HOMO Energy |
-10.71 ± 0.55 eV |
LUMO Energy |
0.91 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-methylpentyl butanoate
- butanoic acid isohexyl ester
- butanoic acid, 4-methylpentyl ester
- butyric acid isohexyl ester
|
InChIKey |
XXRMPEBULHOCFH-UHFFFAOYSA-N |
QR Code |
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Links |
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|
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Downloads |
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|
Elements |
H
C
O
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