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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
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BMC Chemistry

ISSN: 2661-801X

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