Titanium dioxide

An inorganic compound, O2Ti, 79.865 g/mol. Boiling point 2500-3000 °C, melting point 1855 °C, as published.

verified recordInorganic compound6 measured properties

Identifiers

Molecular formula: O₂Ti
Molecular weight: 79.865 g/mol
Exact mass: 79.937776 g/mol
IUPAC name: dioxotitanium
SMILES: O=[Ti]=O
InChI: InChI=1S/2O.Ti
InChIKey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N

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Measured properties

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

Boiling Point: 4532 to 5432 °F at 760 mmHg (NTP, 1992)measured · CAMEO Chemicals; 2500-3000 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: 3380 °F (decomposes) (NTP, 1992)measured · CAMEO Chemicals; 1855 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 3.9 to 4.2 (NTP, 1992)measured · CAMEO Chemicals; 4.23measured · Hazardous Substances Data Bank (HSDB)
Solubility: less than 1 mg/mL at 68 °F (NTP, 1992)measured · CAMEO Chemicals; Insoluble in water and organic solvents. Dissolves slowly in hydrofluoric acid and in hot concentrated sulphuric acid.measured · EU Food Improvement Agents
Vapor Pressure: 0 mmHg at 68 °F Essentially (NTP, 1992)measured · CAMEO Chemicals; 0 mmHg (approx)measured · Occupational Safety and Health Administration (OSHA)
Refractive Index: ANATASE: INDEX OF REFRACTION (NA): 2.554; 2.493; SPECIFIC GRAVITY: 3.84; BROOKITE: INDEX OF REFRACTION (NA): 2.583; 2.586; 2.741; SPECIFIC GRAVITY: 4.17 RUTILE: SPECIFIC GRAVITY: 4.26; INDEX OF REFRACTION (NA): 2.616; 2.903measured · Weast, R.C. (ed.) Handbook of Chemistry and Physics. 69th ed. Boca Raton, FL: CRC Press Inc., 1988-1989., p. B-140; Reactivity depends on previous heat treatment; prolonged heating produces less soluble material; made soluble by fusion with potassium bisulfate or alkali hydroxides or carbonates to form alkali titanates; Index of refraction: 2.7 (Titania crystals)measured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1755; When substantially pure, a massive single crystal (boule) of rutile has properties of precious gem with a very light straw color and with reflectance, refraction and brilliance measuring greater than those of a diamond. ... high opacity and tinting values are claimed for rutile-like pigments.measured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1755; INDEX OF REFRACTION: 2.616; 2.903measured · Weast, R.C. (ed.) Handbook of Chemistry and Physics. 69th ed. Boca Raton, FL: CRC Press Inc., 1988-1989., p. B-140

Calculated properties

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

Molecular weight: 79.866 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 79.9377699 Dacalculated · reference compound database; Mass of the most common isotopic form.
Polar surface area: 34.1 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 18calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 2calculated · reference compound database
logP: -0.2401calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 34.14 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · 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: 1.373 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: 0.376calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Ti Titanium1 atom · 59.9% by mass
O Oxygen2 atoms · 40.1% 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: 3
Total atoms, hydrogen included: 3
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

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 Titanium dioxide yet.

Other names for it

The systematic name on this record is dioxotitanium.

The sources also call it Titania, Titanium(IV) oxide, Titanium White, Titafrance, Titandioxid, Flamenco, Hombitan, Tiofine, Tioxide, Tipaque, Titanox.

Structurally related

Nothing structurally close to Titanium dioxide has a page here yet.

Where these values came from

reference compound database26042
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.