return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > Energy > Internal Rotation

Experimental Barriers to Internal Rotation for CH2CHCH3 (Propene)

2015 10 30 09 35
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 180 8.35 698

Atoms in torsion 1 are 3, 2, 1, 7
The rotor type is CH3

picture of Propene

Got a better number? Please email us at cccbdb@nist.gov