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 |
---|---|
CH2CHCH2CH2Cl | 1-Butene, 4-chloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.339 | 1992Kuchitsu(II/21) | 2 | 4 | |||
rCC | 1.508 | 1992Kuchitsu(II/21) | next to = | 2 | 6 | ||
rCC | 1.528 | 1992Kuchitsu(II/21) | !assumed | 6 | 9 | ||
rCCl | 1.794 | 1992Kuchitsu(II/21) | 9 | 12 | |||
rCH | 1.102 | 1992Kuchitsu(II/21) | 1 | 4 | |||
aCCC | 123.9 | 1992Kuchitsu(II/21) | 4 | 2 | 6 | ||
aCCC | 112.0 | 1992Kuchitsu(II/21) | 2 | 6 | 9 | ||
aCCCl | 111.5 | 1992Kuchitsu(II/21) | 6 | 9 | 12 | ||
aHCC | 121.5 | 1992Kuchitsu(II/21) | towards end | 1 | 4 | 2 | |
aHCC | 121.0 | 1992Kuchitsu(II/21) | towards end | 2 | 4 | 3 | |
aHCC | 119.0 | 1992Kuchitsu(II/21) | from end | 4 | 2 | 10 | |
aHCC | 109.3 | 1992Kuchitsu(II/21) | 6 | 9 | 7 | ||
aHCC | 110.2 | 1992Kuchitsu(II/21) | 5 | 6 | 9 | ||
aHCC | 111.5 | 1992Kuchitsu(II/21) | 6 | 2 | 10 | ||
aHCCl | 106.5 | 1992Kuchitsu(II/21) | 7 | 9 | 12 | ||
dCCCC | 123.1 | 1992Kuchitsu(II/21) | 4 | 2 | 6 | 9 | |
dCCCCl | 180.0 | 1992Kuchitsu(II/21) | !assumed | 2 | 6 | 9 | 12 |
squib | reference |
---|---|
1992Kuchitsu(II/21) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992. |