Bring your own component data
Not every molecule is in an open databank, and sometimes you already have better numbers — a DIPPR/DETHERM license, a vendor datasheet, your own regression. Enter or estimate Tc/Pc/ω once and it resolves first on every solve from then on.
How a component resolves
Four sources, checked in order — the first hit wins.
Your own data (BYOL)
A component id you've saved an override for — Tc, Pc, ω, and optionally Tb/MW — checked first, every time. This is where a licensed DIPPR/DETHERM value, or a number from your own measurement/regression, takes priority over anything built in. Scoped to your account; it never affects anyone else's solves.
The bundled open-data databank
~6,700 components resolved from openly-licensed sources (no DIPPR/DETHERM scrape) — see the component library at /components. Checked only when you have no override for that id.
The chemicals package (live query)
A broader open-source critical-property compilation, queried by CAS number or name when the id isn't in the bundled table either.
Group-contribution estimate
Still nothing? Estimate Tc/Pc/Tb from Joback group counts and ω from Ambrose-Walton in the Property Estimator, then save the result as your own override — the same BYOL slot as step 1, so it resolves first on every solve from then on.
Every unresolved component falls through cleanly to the next source — nothing is ever silently defaulted or fabricated. A component that resolves nowhere in the chain reports as unresolvable, not as a guessed number.
Adding or overriding your own
- 1
Check whether it's already there
Search the component library at /components by name, id, or CAS number. If it resolves, you're done — just type its id into a feed's composition editor.
- 2
Open Component Data
In the workspace, open the left drawer's Settings → "Component data" panel (PropertyOverridesPanel). This is where every account-level override lives, editable and deletable at any time.
- 3
Enter it directly, or estimate it
If you have real values — from a DIPPR/DETHERM license, a vendor datasheet, or your own regression — enter Tc/Pc/ω (and Tb/MW if you have them) directly. If not, use the Property Estimator's Joback/Ambrose-Walton tool (Thermo Tools panel) from the molecule's functional groups, then click "Save as component" to write the estimate straight into the same override slot.
- 4
It resolves automatically from then on
No re-upload, no per-flowsheet setup. Any feed, fluid, or pseudocomponent referencing that id resolves your saved value on every subsequent solve — first in the chain, ahead of the open-data databank and the live chemicals-package lookup.
Have a molecule the databank doesn't know?
Open a feed's composition editor, search for it, and if it's missing — estimate or enter its properties in one pass. It's ready for every flowsheet after that.