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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 |
---|---|
CH2CHCH2CH3 | 1-Butene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.342 | 1976Hellwege(II/7) | 3 | 4 | |||
rCC | 1.493 | 1976Hellwege(II/7) | closest to = | 2 | 3 | ||
rCC | 1.536 | 1976Hellwege(II/7) | farthest from = | 1 | 2 | ||
rCH | 1.090 | 1976Hellwege(II/7) | !assumed for vinyl | 3 | 5 | ||
rCH | 1.095 | 1976Hellwege(II/7) | !assumed for ethyl | 1 | 6 | ||
aCCC | 125.4 | 1976Hellwege(II/7) | 2 | 3 | 4 | ||
aCCC | 112.1 | 1976Hellwege(II/7) | 1 | 2 | 3 | ||
aHCC | 117.1 | 1976Hellwege(II/7) | middle C has = | 2 | 3 | 5 | |
aHCC | 110.3 | 1976Hellwege(II/7) | from end | 2 | 1 | 6 | |
aHCH | 105.7 | 1976Hellwege(II/7) | 9 | 2 | 10 | ||
dCCCC | 119.9 | 1976Hellwege(II/7) | 1 | 2 | 3 | 4 |
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. |