To get the molar fraction(Yi) you need to calculate the mixture molar mass (Molar_Mix) and then get the mole fraction by Yi=Xi*Molar_Mix/Molar_i.
For mass concentration ou just need to multiply mass fraction (Xi) by the mixture density. The latter one is accessible though C_R(c,t). So the expression you are using is correct but I guess you are referring to some other definition which I dunno?
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