John Dalton's formulation of an Atomic Theory in the first decade of the 19th century provided a theoretical basis for understanding chemical behavior. In addition to defining the Law of Multiple Proportions, he also formulated the Rule of Greatest Simplicity, which held that water was a binary compound, OH. (Note: Dalton did not use our modern symbols, which came to us from Berzelius, but rather circles that were distinguishable from one another.) Dalton established the combining masses of H to O in water as ~1:6. This ratio was later refined to 1:8. Dalton postulated that in a molecules comprised of two different atoms, the simplest one in the series would be binary. While this rule applied to CO and CO₂, it did not apply to the pair, water and hydrogen peroxide. Thus, water, according to Dalton, was OH. The Rule of Greatest Simplicity, which was at odds with Gay-Lussac's Law of Combining Volumes of Gases, which demonstrated that the volume of hydrogen produced upon electrolysis of water was twice that of oxygen, was dismissed by Dalton as a faulty result. Moreover, although there was agreement regarding the combining masses of atoms in the first half of the nineteenth century, there was disagreement as to the unit mass of the common atoms encountered in organic chemistry: hydrogen (1), carbon (2x6 or 1x12), oxygen (2x8 or 1x16). Since hydrogen was the lightest of the elements, it was assigned a mass of one (Prout's Hypothesis), a notion that is unrelated to today's mass of hydrogen owing to the presence of a single proton in the hydrogen nucleus. Berzelius's proposal of a mass scale based upon O = 100 would have worked as well.

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