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. 2020 Feb 28;25(5):1077. doi: 10.3390/molecules25051077

Table 1.

Symmetry number σ, flexibility number Φ, and calculated melting entropy Δsm of components using the model proposed by Jain et al. [44].

Compound σ SP3 SP2 Ring τ Φ Δsm (J mol–1 K–1)
3-cyclohexylpropionic acid 1 2 1 1 2 5.93 64.80
caprylic acid 1 6 1 0 5.5 133.58 90.69
cyclohexanecarboxylic acid 1 0 1 1 0 1 50
capric acid 1 8 1 0 7.5 792.03 105.49
3-phenylpropionic acid 1 2 1 1 2 5.93 64.80
lauric acid 1 10 1 0 9.5 4696.13 120.29