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 |
---|---|
CH2ClCH2CH3 | Propane, 1-chloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.113 | 1984Yam/Sug:2315 | 1 | 5 | |||
rCH | 1.113 | 1984Yam/Sug:2315 | 1 | 5 | |||
rCC | 1.525 | 1984Yam/Sug:2315 | 1 | 2 | |||
rCC | 1.525 | 1984Yam/Sug:2315 | 1 | 2 | |||
rCCl | 1.796 | 1984Yam/Sug:2315 | 1 | 4 | |||
rCCl | 1.796 | 1984Yam/Sug:2315 | 1 | 4 | |||
aCCC | 111.3 | 1984Yam/Sug:2315 | 1 | 2 | 3 | ||
aCCC | 111.3 | 1984Yam/Sug:2315 | 1 | 2 | 3 | ||
aCCCl | 111.3 | 1984Yam/Sug:2315 | 2 | 1 | 4 | ||
aCCCl | 111.3 | 1984Yam/Sug:2315 | 2 | 1 | 4 | ||
rCH | 1.113 | 1984Yam/Sug:2315 | 1 | 5 | |||
rCH | 1.113 | 1984Yam/Sug:2315 | 1 | 5 | |||
rCC | 1.525 | 1 | 2 | ||||
rCC | 1.525 | 1 | 2 | ||||
rCCl | 1.796 | 1984Yam/Sug:2315 | 1 | 4 | |||
rCCl | 1.796 | 1984Yam/Sug:2315 | 1 | 4 | |||
aCCC | 113.9 | 1984Yam/Sug:2315 | 1 | 2 | 3 | ||
aCCC | 113.9 | 1984Yam/Sug:2315 | 1 | 2 | 3 | ||
aCCCl | 112.2 | 1984Yam/Sug:2315 | 2 | 1 | 4 | ||
aCCCl | 112.2 | 1984Yam/Sug:2315 | 2 | 1 | 4 | ||
dCCCCl | 63.9 | 1984Yam/Sug:2315 | 3 | 2 | 1 | 4 |
squib | reference |
---|---|
1984Yam/Sug:2315 | Yamanouchi, Sugie, Takeo, Matsumura, Kuchitsu, Molecular Structure and Conformation of 1-Chloropropane As Determined by Gas Election Diffraction and Microwave Spectroscopy, J. Phys. Chem., Vol. 88, pgs. 2315-2320 |