How the energy conversion works
Two modes keep the dimensional meaning explicit. In molecular mode, an energy associated with one entity is converted to its equivalent per mole of entities using the Avogadro constant. Macroscopic mode converts only total-energy units.
1 eV = 1.602176634 × 10⁻¹⁹ J
1 calth = 4.184 J · 1 Wh = 3600 J
Joule, calorie and watt-hour conversions use their stated definitions. The calorie is the thermochemical calorie—not an international-table or temperature-specific calorie. Hartree energy uses the CODATA 2022 value, 4.3597447222060 × 10⁻¹⁸ J. Wavenumber is reported as the energy-equivalent quantity E/(hc), in cm⁻¹; it is not itself an SI energy unit.
Worked example
1 eV per entity = 96.4853 kJ mol⁻¹ = 23.0605 kcal mol⁻¹.
A negative reaction-energy difference remains negative on conversion. No reaction stoichiometry, charge count or electrical work is inferred from an energy value alone.
Common questions
Can I convert a sample’s total joules directly to kJ/mol?
Only when the amount of substance is known: Em = Etotal/n. The molecular mode instead defines one entity as the input basis. Keep sample energy in macroscopic mode until you have supplied the amount of substance in your own calculation.
Does converting eV to volts give a redox potential?
No. A reference electrode, charge-transfer stoichiometry and a thermodynamic model are required. Energy per elementary charge has units of volts, but this dimensional relation does not establish an electrode potential.
Sources and conventions
- NIST · CODATA 2022 fundamental constants
- NIST SP 811 · Thermochemical calorie and energy conversion factors
Method version 1.0.0 · 19 September 2026. Display precision is not measurement accuracy. Read the full scope and validation limits.
