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Water has a high specific heat capacity because it is a relatively light molecule (18 grams per mole). The specific heats of molecules are all about the same on a per-molecule basis, especially at higher temperatures. This is called the law of Dulong and Petit. At low temperatures, it gets more complicated because the vibrations of molecules are quantized.

When specific heats are measured on a per-gram basis, lighter molecules have higher specific heats. For example, the specific heat of hydrogen (H2), which has a molecular weight of 2 grams per mole, is much higher than that of water. Liquid water has a higher specific heat than most other liquids (such as alcohols) because its molecules are lighter.

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