Table 3.
Calculation of the ΔfG0 of glucose by the group contribution method. OH-groups are distinguished according to their attachment to primary or secondary carbon atoms. Contributions of groups -O- and >CH- take into account their presence in a ring.
| Group | Contribution 1 [kJ/mol] | Contribution 2 [kJ/mol] | # Occurrences | Total Contribution 1 [kJ/mol] | Total Contribution 2 [kJ/mol] |
|---|---|---|---|---|---|
| Ori | −103.4 | 0.0 | 1 | −103.4 | 0.0 |
| OH- (secondary) | −131.5 | −173.8 | 4 | −525.9 | −695.0 |
| -O- (ring) | −101.7 | −153.2 | 1 | −101.7 | −153.2 |
| >CH2 | 7.1 | 6.8 | 1 | 7.1 | 6.8 |
| >CH- ( ring) | −10.9 | 20.3 | 5 | −54.4 | 101.3 |
| OH- (primary) | −119.7 | −173.8 | 1 | −119.7 | −173.8 |
| Total | - | - | - | −898.07 | −913.89 |