Barium carbonate Polarity

Is BaCO₃ (Barium carbonate) Polar or Nonpolar? Molecular Polarity & Structure Analysis

Figure 1: 2D Lewis Structure (BaCO ₃; trigonal planar carbon centre)

Polarity Parameters of BaCO₃

CAS Registry Number	513-77-9
Molecular Formula	BaCO3
Molecular Weight	197.34 g/mol
Valence Electrons	24
Lewis Structure Guide	View BaCO3 Lewis Structure Guide
Dipole Moment (μ)	Not defined — ionic / multi-component substance; polarity is described through ionicity and solvation rather than a molecular dipole
Dielectric Constant (εr)	Not available (no dilute-gas estimate; see the technical note)
Snyder Polarity Index (P′)	Not conventionally assigned
XlogP3-AA	Not computed (Crippen parameters do not cover every element here) (computed descriptor)

Note: Snyder P′ is a chromatographic solvent scale developed for conventional liquid solvents; the value shown for the dipole is a single-ion-pair calculation about the centre of mass and is origin-dependent for a charged species; XlogP is a calculated partition descriptor, not a direct measure of solvent polarity.

1. Molecular Polarity Analysis of Barium carbonate: Geometry & Dipole Vector

To determine whether Barium carbonate (BaCO₃) is polar or nonpolar, the decisive question is whether the bond dipoles of the molecule cancel once its three-dimensional shape is taken into account. Barium carbonate is a carboxylate salt, built from 2 × carboxylate anion (–COO⁻). As set out in the BaCO₃ Lewis Structure Guide, BaCO₃ has 4 heavy atoms. Rat poison;.

The bond polarities follow from electronegativity. The largest differences in the structure are C–O (ΔEN ≈ 0.89), so electron density is pulled toward oxygen. In three dimensions, the carbon centre is trigonal planar with sp2 hybridization and bond angles close to 120°. Because the substance separates into ions, the bond dipoles cancel and the net molecular dipole moment is exactly μ = 0 D.

For formulation and process work, the useful consequences are these: the calculated topological polar surface area is 63.2 Ų, 0 hydrogen-bond donors and 3 hydrogen-bond acceptors and the Crippen partition coefficient is not quoted, because the parameter set does not cover every element in the molecule. PubChem’s curated experimental record adds: Barium carbonate is In water, 0.0014 g/100 g at 20 °C.

2. Barium carbonate application: Rat poison;

PubChem’s use and manufacturing record describes Barium carbonate as follows: Rat poison; These applications are what make the polarity question practical — solvent choice, extraction recovery, cleaning and formulation all turn on how strongly the molecule interacts with polar phases.

The measured physical behaviour recorded for this substance is consistent with that picture. Solubility: In water, 0.0014 g/100 g at 20 °C. Physical Description: Barium carbonate is a white powder.. Density: 4.3 at 68 °F (USCG, 1999) - Denser than water;. Melting Point: ERG is for "Barium compound, n.o.s." Vapor pressure is negligible.. These are database values and should be read with the conditions (temperature, purity, pressure) that the source states.

No dilute-gas permittivity is reported here: the Debye estimate would have to inherit a dipole moment that this method does not deliver reliably for this class of compound (the species is ionic or carries a net charge, so the dipole depends on the choice of origin and is not a molecular constant), and for an ionic substance the equation does not apply at all.

Structurally the reactivity sits in 2 × carboxylate anion (–COO⁻). That functional inventory, together with the exactly zero dipole, is what predicts the solubility and adsorption behaviour: polar groups give the molecule a handle on polar solvents and on polar surfaces, while the hydrocarbon portion resists them.

PubChem’s GHS record for this substance lists H302: Harmful if swallowed [Warning Acute toxicity, oral] and H302 (91%): Harmful if swallowed [Warning Acute toxicity, oral]. Those classifications, not the polarity of the molecule, normally determine packaging, labelling, ventilation and transport requirements.

Recommended Analytical Quality-Control Strategy

• Identity confirmation: FTIR or Raman against a reference spectrum, supported by GC–MS or LC–MS where the compound is amenable; this is the fastest way to catch a mis-labelled lot.
• Assay / purity: GC-FID or GC-MS for volatile material, HPLC with a validated detector for non-volatile or thermally labile material; state the basis (area %, assay on dried substance, or titrimetric) on the certificate of analysis.
• Water content: Karl Fischer titration is the default for a substance whose polarity and hydrogen-bonding capacity make it hygroscopic; moisture is the single most common cause of out-of-specification lots.
• Inorganic / ionic content: ion chromatography or ICP-OES for the counter-ion and for trace metals; for salts the counter-ion stoichiometry is part of the assay, not an afterthought.
• Physical constants: density, refractive index and boiling or melting range against the published values — cheap, fast and often sufficient to reject a lot before any chromatographic work is done.

In short, specify Barium carbonate by assay, water content, impurity profile, packaging and transport class, and state the intended application on the enquiry. The polarity analysis above explains behaviour in use; it does not replace a specification.

3. Polarity Comparison: BaCO₃ and Related Industrial Fluids

The comparison below places BaCO₃ next to structurally related substances from the same catalogue. Dipole moments come from one consistent protocol (GFN2-xTB//MMFF94, gas phase, single conformer) and are quoted only where that protocol has been validated; where it has not, the cell says so instead of giving a number. Permittivities are dilute-gas estimates from the Debye equation, logP values are Crippen calculations, and the solubility column is a qualitative inference from the calculated descriptors rather than a measurement.

The spread across this table is the point: composition alone does not set the polarity verdict. BaCO₃ sits where it does because of the balance between its polar functional groups and the symmetry of the structure, and any of the neighbouring entries can be the better choice once the temperature, the phase and the required polarity window are fixed.

4. Expert R&D Commentary

5. Regulatory, Safety & Sustainability Trends

Regulatory status is specific to the substance and to the jurisdiction, and it changes. For CAS 513-77-9 the authoritative public sources are the ECHA registered-substance database for the EU, and the OSHA and NIOSH tables for occupational exposure in the United States.

PubChem’s GHS record for this substance lists H302: Harmful if swallowed [Warning Acute toxicity, oral] and H302 (91%): Harmful if swallowed [Warning Acute toxicity, oral]. These statements are the ones that must appear on the label and in section 2 of the safety data sheet; they, rather than the polarity of the molecule, drive classification, packaging group and transport documentation.

No occupational exposure limit for this substance is quoted in this article, because none was present in the database record used here. Publishing a limit that is not on the record would be worse than publishing none: obtain the applicable value from the OSHA Z-table, the NIOSH pocket guide or the equivalent national instrument before designing the ventilation or monitoring programme.

From a compliance and sustainability standpoint, the polarity of BaCO₃ is a means rather than an end. It determines which solvent can replace another, how completely the substance can be recovered from a stream, and how much energy the separation will cost — so it belongs in the process justification, while the hazard classification and the exposure limits belong in the safety case.

6. Guidechem's Procurement Tips: What to Specify for Barium carbonate

A purchase enquiry for Barium carbonate (CAS 513-77-9) should state the grade, assay basis, permitted impurity limits, water content, packaging, and the transport and regulatory status required for the destination market. Where the substance is used as a reagent or intermediate, the impurity profile usually matters more than the nominal percentage.

Because polarity governs phase behaviour, it also governs recovery: a exactly zero molecule is easier to strip from a non-polar stream and harder to dry than a non-polar one, and vice versa. Confirm the Guidechem supply listing for current availability and compare lots on the certificate of analysis rather than on the label alone.

Frequently Asked Questions (FAQs)

References & Academic Databases

1. PubChem Compound Summary: Barium carbonate, CAS RN 513-77-9, CID 10563. National Center for Biotechnology Information. pubchem.ncbi.nlm.nih.gov
2. ECHA Substance Information: Barium carbonate, CAS 513-77-9 — REACH registration status, harmonised classification and regulatory context. European Chemicals Agency.
3. NIST Chemistry WebBook / CCCBDB: experimental geometry, vibrational data and dipole-moment compilations for Barium carbonate. National Institute of Standards and Technology.
4. CRC Handbook of Chemistry and Physics, 92nd ed. (Haynes, W. M., ed.), CRC Press, 2011 — electronegativity, dielectric constant and dipole-moment tables.
5. Nelson, R. D.; Lide, D. R.; Maryott, A. A.: Selected Values of Electric Dipole Moments for Molecules in the Gas Phase, NSRDS-NBS 10, National Bureau of Standards, 1967.
6. Snyder, L. R.: solvent-polarity classification and the P′ scale for liquid chromatographic solvents. The P′ scale is defined only for conventional liquid solvents and is not assigned to substances outside that scope.
7. Bannwarth, C.; Ehlert, S.; Grimme, S.: GFN2-xTB — an accurate and broadly parametrised self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions. J. Chem. Theory Comput. 2019, 15 (3), 1652–1671.
8. RDKit / Halgren, T. A.: MMFF94 force field for geometry generation (J. Comput. Chem. 1996, 17, 490–519) and the RDKit cheminformatics toolkit used for the Crippen logP, TPSA and hydrogen-bond descriptors quoted here.