Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C6H12 | (E)-3-methylpent-2-ene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.349 | 1976Hellwege(II/7) | 15 | 17 | |||
rCC | 1.511 | 1976Hellwege(II/7) | average, any C from =C | 1 | 15 | ||
rCC | 1.551 | 1976Hellwege(II/7) | in ethyl | 9 | 12 | ||
rCH | 1.116 | 1976Hellwege(II/7) | average | 1 | 2 | ||
aCCC | 124.5 | 1976Hellwege(II/7) | 1 | 15 | 17 | ||
aHCC | 110.3 | 1976Hellwege(II/7) | average | 2 | 1 | 15 | |
aCCC | 111.8 | 1976Hellwege(II/7) | 9 | 12 | 17 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |