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- W3046398438 endingPage "113969" @default.
- W3046398438 startingPage "113969" @default.
- W3046398438 abstract "We have constructed equations for the correlation and prediction of heat capacities of gases Cp (gas), heat capacities of liquids Cp (liq), heat capacities of solids Cp (solid), the heat capacity of vaporization Δ vap Cp , as Cp (gas) − Cp (liq) and the heat capacity of sublimation Δ sub Cp , as Cp (gas) − Cp (solid) for organic compounds and a selection of organometallic compounds. These equations are statistically as good as, or better than, previously reported equations. The same independent variables are used in all the equations, and predictions can be made using simple arithmetic. For some processes, an equation that uses the McGowan volume as the only independent variable is found to be useful as a predictive equation, and has the advantage that the McGowan volume can trivially be calculated from structure, no computer software being required. • A general equation is used to correlate and predict heat capacities. • Includes heat capacities of solids, liquids and gases at 298 K • Includes heat capacities of vaporization and sublimation • The equations are mathematically simple. • Predictions can be made by simple arithmetic." @default.
- W3046398438 created "2020-08-07" @default.
- W3046398438 creator A5012093239 @default.
- W3046398438 creator A5077374766 @default.
- W3046398438 date "2020-11-01" @default.
- W3046398438 modified "2023-10-13" @default.
- W3046398438 title "Estimation of heat capacities of gases, liquids and solids, and heat capacities of vaporization and of sublimation of organic chemicals at 298.15 K" @default.
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- W3046398438 doi "https://doi.org/10.1016/j.molliq.2020.113969" @default.
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