Monochloroacetic acid is widely used in fields such as fine chemical synthesis, pesticides and pharmaceuticals, dyes, surfactants, organic synthesis catalysis, the preparation of fabric finishing agents, and metal cleaning agents. Monochloroacetic acid is modelled as a pure substance; when modelling this substance, the user is required to add a solvent of their choice in the model. The dataset includes the main raw and auxiliary materials, energy, wastewater and atmospheric emissions of the production process, in which the waste-gas treatment process is included within the dataset boundary, while infrastructure such as the manufacture of production equipment and plant construction is not included within the dataset boundary; the data inventory is formed by merging data from multiple sources; the production activities of this product include liquid-chlorine gasification, chlorination reaction, crystallization, centrifugation and other process steps. Dichloroacetic acid mother liquor and hydrochloric acid are by-products of this production process, allocated according to economic value.