chemicals

library1.5.2pypypiunverified

Chemical properties component of the Chemical Engineering Design Library (ChEDL). Provides pure component and mixture properties, phase equilibria, transport properties, and reaction stoichiometry. Current version 1.5.1, released regularly.

data ai-ml

pip install chemicals

github ↗package ↗

INSTALL

IMPORT

SIG · CHEMICALS

chemicals

datapythonv1.5.2

Install

12.4s avg

Import

—

Disk

382MB

Pass rate

10/ 10

Env Coverage10 / 10

glibc

3.9–3.13

musl

3.9–3.13

Install & Compatibility

Where this runs

tested against v1.5.2 · pip install

no network on importno background threads

Install × environment matrix

Each cell = how many times install + import succeeded across repeated harness runs. Partial = flaky.
glibc = Debian/Ubuntu slim · musl = Alpine Linux

musl

py 3.10–3.95 runs

installs and imports cleanly · install 0.0s · import 0.000s · 382.3MB

glibc

py 3.10–3.95 runs

installs and imports cleanly · install 12.4s · import 0.000s · 370MB

382MB installed

● package 382MB

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

Chemical

✓ from chemicals import Chemical

✗ from chemicals import Chemical

Basic usage: instantiate a Chemical and compute properties.

from chemicals import Chemical from chemicals.reaction import balance_stoichiometry # Create a chemical object for water H2O = Chemical('water') print(f"Molecular weight: {H2O.MW} g/mol") print(f"Critical temperature: {H2O.Tc} K") # Balance a simple reaction rxn = balance_stoichiometry(['H2', 'O2'], ['H2O']) print(f"Balanced: {rxn}")

Debug

Known issues

gotchaChemical names can be ambiguous. Use CAS numbers or exact names to avoid picking the wrong isomer. e.g., 'ethanol' vs 'ethyl alcohol' both work, but 'propanol' raises an error due to multiple isomers.

fix

Always specify a unique CAS number if possible, e.g., Chemical(CAS='64-17-5').

affects: all

breakingIn version 1.2.0, numpy 2.0 and scipy 1.14 compatibility introduced breaking changes for some internal routines. Old code relying on numpy <2.0 may break.

fix

Upgrade chemicals to 1.3.0+ or pin numpy<2.0. For chemicals 1.2.0, ensure numpy 2.0 and scipy 1.14 compatibility is acceptable.

affects: >=1.2.0,<1.3.0

gotchaThe 'chemicals' package uses the 'fluids' library as a dependency. If you installed it via pip, fluids is included, but if you manually install chemicals from source, ensure fluids >= 1.0.26 (since chemicals 1.2.0).

fix

Run pip install 'chemicals' which auto-installs correct fluids version.

affects: >=1.2.0

deprecatedThe function 'VaporPressure.from_method' using deprecated argument 'method' with string names might be removed. Use integer or method handle instead.

fix

Use method as integer or use the new VaporPressure class directly.

affects: >=1.4.0

Upgrade

Version history

1.5.2latest on PyPI · released Jun 7, 2026

Audit

Dependencies

fluidsrequiredUsed for fluid dynamics calculations; version >= 1.0.26 required since chemicals 1.2.0

numpyrequiredArray computations

scipyrequiredInterpolation and optimization

Agent activity

12 hits · last 30 days

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Amazon

OpenAI (training)

Resources

githubhttps://github.com/CalebBell/chemicals ↗

packagehttps://pypi.org/project/chemicals/ ↗