sodium hydrogen carbonate

An inorganic compound, CHNaO3, 84.006 g/mol. Melting point Decomposes around 50 °C, density 2.2 @25 °C, as published.

verified recordInorganic compound4 measured properties

Identifiers

Molecular formula: CHNaO₃
Molecular weight: 84.006 g/mol
Exact mass: 83.982338 g/mol
IUPAC name: sodium hydrogen carbonate
SMILES: O=C([O-])O.[Na+]
InChI: InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey: UIIMBOGNXHQVGW-UHFFFAOYSA-M

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Melting Point: Decomposes at 228 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; Decomposes around 50 °Cmeasured · reference compound database; 228 °F (decomposes)measured · reference compound database; Approximately 50 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 4-90
Solubility: 1 in 10 % at 77 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 100000 mg/L (at 25 °C)measured · MERCK INDEX (1996); Soluble in water. Insoluble in ethanolmeasured · reference compound database; In water, 10.3 g/100 g water at 25 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 4-90; Soluble in 10 parts water at 25 °C; 12 parts water at about 18 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1594; Solubility in water = 6.4, 7.6, 8.7, 10.0, 11.3, 12.7, 14.2, 16.5, and 19.1 g/100g solution at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively; Solubility in water = 6.9, 8.2, 9.6, 11.1, 12.7, 14.5, 16.5, 19.7, and 23.6 g/100g H2O at 0, 10, 20, 30, 40, 50, 60, 80, and 100 °C, respectively. Solubility is lower in the presence of sodium carbonatemeasured · Thieme C; Sodium Carbonates. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2017). New York, NY: John Wiley & Sons. Online Posting Date: 15 Jun 2000; Insoluble in ethanolmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 4-90; Solubility in water, g/100ml at 20 °C: 9.3measured · reference compound database
Density: 2.159 (NTP, 1992) - Denser than water; will sinkmeasured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 2.20 g/cu cmmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 4-90; 2.1 g/cm³measured · reference compound database; 2.2 @25 °Cmeasured · reference compound database
Refractive Index: Refractive indices: 1.380, 1.500, 1.586measured · Thieme C; Sodium Carbonates. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2017). New York, NY: John Wiley & Sons. Online Posting Date: 15 Jun 2000

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 84.007 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 83.98233817 Dacalculated · reference compound database; Mass of the most common isotopic form.
Polar surface area: 60.4 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 24calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 1calculated · reference compound database
H-bond acceptors: 3calculated · reference compound database
logP: -4.1083calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 60.36 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 1calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 2calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 0calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 8.0248 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 0calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.3033calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

O Oxygen3 atoms · 57.1% by mass
Na Sodium1 atom · 27.4% by mass
C Carbon1 atom · 14.3% by mass
H Hydrogen1 atom · 1.2% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 5
Total atoms, hydrogen included: 6
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Carboxylic acid
A carbon double-bonded to oxygen and bonded to an –OH group; acidic.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves sodium hydrogen carbonate yet.

Other names for it

The systematic name on this record is sodium hydrogen carbonate.

The sources also call it SODIUM BICARBONATE, Baking soda, Sodium hydrogencarbonate, Sodium acid carbonate, Bicarbonate of soda, Carbonic acid monosodium salt, Meylon, NaHCO3, Neut, Col-evac, Monosodium carbonate, Natriumhydrogenkarbonat.

Structurally related

Nothing structurally close to sodium hydrogen carbonate has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as sodium hydrogen carbonate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1,3,5-Triethylbenzene

C₁₂H₁₈, 162.276 g/mol.

1,3-Diethylbenzene

C₁₀H₁₄, 134.222 g/mol.

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C₃₉H₃₂OP₂, 578.632 g/mol.

Where these values came from

reference compound database8953
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.