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Thermodynamic properties of thiourea + hydrocarbon adducts from 12 to 300 K. The heat capacities and entropies of the adducts of c-C6H12, c-C7H14, c-C8H16, and (CH3)3C·C2H5

✍ Scribed by A.F.G. Cope; D.J. Gannon; N.G. Parsonage


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
834 KB
Volume
4
Category
Article
ISSN
0021-9614

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Thermochemical properties from ab initio
✍ Michel J. Rossi 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 285 KB

## Abstract The calculated difference in the standard heat of formation Δ Δ~f~H°(298.15) of __n__‐ and __i__‐C~4~__H__~3~^•^ free radicals is 37.9 kJ mol^−1^ for G3MP2B3 and 45.0 kJ mol^−1^ for CCSD(T)‐CBS (W1U) calculations, which seems to preclude the direct even‐carbon radical pathway to benzene