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Table 7 Calculation of the formation enthalpies of the studied substances using the addictive Benson schemefor 3-[5-nitrolphenyl-2-furyl]acrylic acid isomers

From: Thermodynamic properties of some isomeric 5-(nitrophenyl)-furyl-2 derivatives

Substance Increment ΔfH298.15, kJ mol−1
1–4 Cb–(Cb)2(H) 13.8
5 Cb–(Cb)2(Cd) 23.8
6 Cb–(Cb)2(NO2) − 0.5
7 Cd–(Cd)(Cb)(O) 59.7
8,9,12 Cd–(Cd)2(H) 28.4
10 Cd–(Cd)2(O) 43.4
11 O–(Cd)2 − 137.2
13 Cd–(Cd)(H)(CO) 32.1
14 CO–(Cd)(O) − 140.2
15 O–(CO)(H) − 252.3
Furan cycle − 25.9
  1. ΔfH298,15 = 4·ΔfH298,15(Cb–(Cb)2(H)) + ΔfH298,15(Cb–(Cb)2(Cd)) + ΔfH298,15(Cb–(Cb)2(NO2)) + ΔfH298,15(Cd–(Cd)(Cb)(O)) +3·ΔfH298,15(Cd–(Cd)2(H)) + ΔfH298,15(Cd–(Cd)2(O)) + ΔfH298,15(O–(Cd)2) + ΔfH298,15(Cd–(Cd)(H)(CO)) + ΔfH298,15(CO–(Cd)(O)) +ΔfH298,15(O–(CO)(H)) + ΔfH298,15(Furan cycle) = 4·13.8 + 23.8 − 0.5 + 59.7 + 3·28.4 + 43.4 − 137.2 + 32.1 − 140.2 − 252.3 − 25.9 = 256.7 kJ/mol