H2CO2

Formic acid · Methanoic acid

Formic acid is the simplest carboxylic acid, widely used as a chemical intermediate and industrial reagent.

CHO
Crystal structure of H2CO2
Ground-state structure · Materials Project
Overview

About Formic acid

Formic acid is a fundamental organic compound consisting of a carboxylic acid group attached to a hydrogen atom. It is characterized as a wide-band-gap insulator, reflecting its role as a stable molecular species in many chemical environments despite its thermodynamic tendency to decompose under specific conditions.

This compound is a vital chemical intermediate, widely utilized in the synthesis of various industrial products. Its structural versatility and reactivity make it a significant subject for researchers studying small organic molecules and their potential for energy storage or chemical feedstock applications.

At a glance

Key Properties

Cross-validated computational properties for Formic acid, aggregated across 3 databases.

Band Gap

2.99–4.86 eV
Range across DFT structures

Energy Above Hull

0.129 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

15
3 databases, 3 space groups
Uses

Applications

Where Formic acid is used.

Leather tanningTextile dyeingSilage preservationChemical synthesis intermediateDe-icing agent
Reference

Frequently Asked Questions

Common questions about Formic acid, answered from cross-validated data.

What is H2CO2?

Formic acid is the simplest carboxylic acid, widely used as a chemical intermediate and industrial reagent.

More questions
What is H2CO2 used for?
Formic acid (H2CO2) is used in leather tanning, textile dyeing, silage preservation, chemical synthesis intermediate, and de-icing agent.
What is the band gap of H2CO2?
Formic acid (H2CO2) has a DFT-computed band gap of 2.99–4.86 eV across 15 reported structures.
Is H2CO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.86 eV it is an insulator / wide-band-gap material.
Is H2CO2 thermodynamically stable?
Formic acid (H2CO2) has a lowest energy above hull of 0.129 eV/atom (above hull).
How many polymorphs of H2CO2 are known?
15 structures of H2CO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does H2CO2 contain?
Formic acid (H2CO2) contains C, H, and O (3 elements).
Where does the data for H2CO2 come from?
H2CO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a foundational carboxylic acid, this compound serves as the simplest member of its class. It acts as a primary benchmark for understanding the reactivity and electronic behavior of more complex organic acids, providing a baseline for structural and thermodynamic comparisons within the broader landscape of carbon-based chemistry.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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