# (Extended) Shomate equation for selected compounds

Standard isobaric molar heat capacity and enthalpy at 298.15 K:
C°pm/(J K-1 mol-1) = A + B*t + C*t^2 + D*t^3 + E/t^2 + X*t^0.5 + A'/t^2*exp(E'/t)/(exp(E'/t)-1)^2
Standard molar enthalpy of fusion:
Δf H°pm/(kJ mol-1) = A*t + B*t^2/2 + C*t^3/3 + D*t^4/4 - E/t + X*t^1.5/1.5 + F + 1000*A'/E'/(exp(E'/t)-1)
Standard molar enthalpy of fusion—difference from the 298.15 K value:
Δf H°pm/(kJ mol-1) = A*t + B*t^2/2 + C*t^3/3 + D*t^4/4 - E/t + X*t^1.5/1.5 + F - H + 1000*A'/E'/(exp(E'/t)-1)
Standard absolute molar entropy:
S°pm/(J K-1 mol-1) = A*ln(t) + B*t + C*t^2/2 + D*t^3/3 - E/(2*t^2) + 2*X^0.5 + G + A'/E'/t/(exp(E'/t)-1) - A'/E'^2*ln(1-exp(-E'/t))
where
t=T/(1000 K)

These tables are inteded for an undergraduate course in physical chemistry and are published here without any warranty. The form of the tables enables direct (or with small changes) copy-and-paste into a mathematical assistant or calculator like Maple, Mathematica, MatLab, Octave, Basic, ev (part of MACSIMUS), etc. To use the formulas, it is necessary first to define t=T/1000.

Most data are taken from the NIST database, those marked by * are (re-)fitted by JK.