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 |
---|---|
CHOCH(CH3)CH3 | Propanal, 2-methyl- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.127 | 1976Hellwege(II/7) | 1 | 8 | |||
rCC | 1.528 | 1976Hellwege(II/7) | average | 7 | 10 | ||
rCO | 1.206 | 1976Hellwege(II/7) | 11 | 13 | |||
aCCO | 123.3 | 1976Hellwege(II/7) | 10 | 11 | 13 | ||
aHCC | 110.8 | 1976Hellwege(II/7) | average | 1 | 8 | 10 |
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. |