Panjang Ikatan Panjang ikatan Csp3- Sudut terhadap Csp2

Karbokation
C-C (Å) H (Å) (o)
t-butil C2-C1 = 1,45531 C1-H7 = 1,12367 C1C2C3 = 119,993
C2-C3 = 1,45527 C1-H6 = 1,13393
C2-C4 = 1,45529 C1-H5 = 1,12367
Sek-butil C1-C2 =1,4381 C1-H7 = 1,13713 C1C2C3 = 123,292
C2-C3 = 1,44355 C1-H6 = 1,12084 C1C2H8 = 118,346
C3-C4 = 1,50,874 C1-H5 = 1,13274
n-butil C1-C2 = 1,42302 C2-H8 = 1,13011 C2C1H5 = 121,444
C2-C3 = 1,57086 C2-H9 = 1,13011 H5C1H6 = 117,082
C3-C4 = 1,5029

t-butil Sek-butil n-butil

C1-H7 = 0,169 C1-H7 = 0,217 C2-H9 = 0,191
C1-H6 = 0,201 C1-H6 = 0,160 C2-H8 = 0,191
C1-H5 = 0,169 C1-H5 = 0,204
C3-H10 = 0,218
C3-H9 = 0,197

Karbokation Panas Pembentukan (kcal/mol)

t-butil 174,6197213
Sek-butil 183,8220715
n-butil 202,9651383
n-butil

sek-butil

t-butil
 Perkiraan energi disosiasi ikatan
Radikal bebas Panas pembentukan (kkal/mol)
(kkal/mol)
1 45.29661376 -41.7034
2 45.29590420 -41.7041
3 40.60216703 -46.3978
4 19.21152403 -67.7885
5 33.36416400 -53.6358

Perkiraan energi disosiasi ikatan

Radikal bebas Panas pembentukan (kkal/mol)
(kkal/mol)
1 45.29661376 -41.7034
2 45.29590420 -41.7041
3 40.60216703 -46.3978
4 19.21152403 -67.7885
5 33.36416400 -53.6358