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 C3H6O (Propylene oxide)

2015 10 30 09 35
Data from:
1957Swa/Her:100
JD Swalen, DR Herschbach, "Internal barrier of propylene oxide from the microwave spectrum. I" J. Chem. Phys. 27(1), 100, 1957
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 10.71 895
1 180 0.00 0

Atoms in torsion 1 are 3, 2, 6, 7
The rotor type is CH3

picture of Propylene oxide

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