Skip to main content

Energy conversion factors

kJ/mole=\mathrm{kJ} / \mathrm{mole}= kilojoule per mole =1.661×1021 J=1.661maJ=1.661 \times 10^{-21} \mathrm{~J}=1.661 \mathrm{maJ}

1maJ=0.6022 kJ/mole1 \mathrm{maJ}=0.6022 \mathrm{~kJ} / \mathrm{mole}

kcal/mole=\mathrm{kcal} / \mathrm{mole}= kilocalorie per mole =6.952×1021 J=6.952maJ=6.952 \times 10^{-21} \mathrm{~J}=6.952 \mathrm{maJ}

1maJ=0.1438kcal/mole1 \mathrm{maJ}=0.1438 \mathrm{kcal} / \mathrm{mole}

eV=\mathrm{eV}= electron volt =1.602×1019 J=160.2maJ=1.602 \times 10^{-19} \mathrm{~J}=160.2 \mathrm{maJ}

1maJ=6.242×103eV1 \mathrm{maJ}=6.242 \times 10^{-3} \mathrm{eV}

a.u. == Hartree =4.360×1018 J=4360maJ=4.360 \times 10^{-18} \mathrm{~J}=4360 \mathrm{maJ}

1maJ=2.295×1041 \mathrm{maJ}=2.295 \times 10^{-4} a.u.

kT300=k T_{300}= thermal vibrational energy at 300 K=4.142×1021 J=4.142maJ300 \mathrm{~K}=4.142 \times 10^{-21} \mathrm{~J}=4.142 \mathrm{maJ}

1maJ=0.2414kT3001 \mathrm{maJ}=0.2414 k T_{300}