Molar Refractivity

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Molar refractivity-Two fragmentation methods are used to estimate the molar refractivity value.

1. Method one includes 93 atomic contributions evaluated from 504 molecules by using a constrained least squares technique. This method works with a standard deviation 1.27 cm³/mol and can handle molecules containing hydrogen, oxygen, nitrogen, sulfur and halogens.

2. The second method is an extension of method one that includes 120 atomic contributions evaluated from 538 molecules by using a constrained least squares analysis technique. In addition to the atoms introduced for method one, this method can handle molecules with phosphorus and selenium atoms. This method works with a standard deviation of 0.77 cm³/mol.