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II.B.6.

Experimental Barriers to Internal Rotation for CH3CHOHCH3 (Isopropyl alcohol)

Data from:
1970Kon/Hir:97
S Kondo, E Hirota "Microwave spectrum and Internal Rotation of Isopropyl Alcohol" J. Mol. Spec. 34, 97-107 (1970)
V3=1.68 kcal/mol
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 7.03 588
1 15 6.00 502
1 30 3.51 294
1 45 1.03 86
1 60 0.00 0
1 75 1.03 86
1 90 3.51 294
1 105 6.00 502
1 120 7.03 588
1 135 6.00 502
1 150 3.51 294
1 165 1.03 86
1 180 0.00 0
1 195 1.03 86
1 210 3.51 294
1 225 6.00 502
1 240 7.03 588
1 255 6.00 502
1 270 3.51 294
1 285 1.03 86
1 300 0.00 0
1 315 1.03 86
1 330 3.51 294
1 345 6.00 502
1 360 7.03 588

Atoms in torsion 1 are 5, 1, 4, 12
The rotor type is OH

picture of Isopropyl alcohol

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