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| CAS No.: | 7789-20-0 |
|---|---|
| Name: | DEUTERIUM OXIDE |
| Molecular Structure: | |
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| Formula: | D2O |
| Molecular Weight: | 19.9994 |
| Synonyms: | Water,heavy (D2O) (8CI);Deuterium oxide;Deuterium oxide (D2O);Deuterium oxide-d2;Dideuterium monoxide;Dideuterium oxide;Heavy water;Heavy water (D2O);Heavywater-d2;Water-2H2; |
| EINECS: | 232-148-9 |
| Density: | 1.11 g/cm3 |
| Melting Point: | 3.8 °C(lit.) |
| Boiling Point: | 100 °C at 760 mmHg |
| Flash Point: | 101.4 °C |
| Solubility: | Miscible with water. |
| Appearance: | colourless liquid |
| Safety: | 24/25 |
| PSA: | 9.23000 |
| LogP: | -0.06430 |
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nitric acid-d1
A
- 7789-20-0
water-d2
B
- 12033-49-7, 807306-99-6
nitrate radical
| Conditions | Yield |
|---|---|
| In gaseous matrix Kinetics; Irradiation (UV/VIS); photolysis in Pyrex vessel, gas flow velocity: 5-10 cms**-1, T: 239.7-, 370.1 K, p: 20-199.7 Torr, buffer gas: He, SF6; | A n/a B 0.95% |
| In neat (no solvent) Kinetics; 263-446 K, 1-20 Torr; | |
| With sulfur(VI) hexafluoride In neat (no solvent) Kinetics; 263-446 K, 1-107 Torr; |
| Conditions | Yield |
|---|---|
| In not given 34.2°C;; |
| Conditions | Yield |
|---|---|
| In not given byproducts: H(2)H; equilibrium constant discussed;; | |
| In not given byproducts: (2)HH; equilibrium constant discussed;; | |
| In not given byproducts: (2)HH; equilibrium discussed;; | |
| In not given byproducts: (2)HH; equilibrium constant discussed;; |
| Conditions | Yield |
|---|---|
| In neat (no solvent, gas phase) hydrogen-isotope-exchange reaction studied in electrochem. double cells; |
| Conditions | Yield |
|---|---|
| In not given byproducts: H2; thermodynamic data discussed;; | |
| With catalyst: Pd on activated charcoal; In neat (no solvent) | |
| In not given byproducts: H; equilibrium constant discussed;; |
| Conditions | Yield |
|---|---|
| production of D2O by H/D exchange; | |
| production of D2O by H/D exchange; |
| Conditions | Yield |
|---|---|
| In not given Kinetics; | |
| In not given Kinetics; |
| Conditions | Yield |
|---|---|
| rutile In neat (no solvent) Kinetics; byproducts: formaldehyde, CO2, (2)H2; other Radiation; decompn. on stoch. and defective surfaces of TiO2(110) rutile single crystal at 400-613 K; yields of CO and (2)H2O were about 60 %; (2)H2CO and CO2 - about 10 %; (2)H2 -about 2 %; detd. by TPRS; |
| Conditions | Yield |
|---|---|
| In not given byproducts: Fe; equilibrium constant discussed;; |
| Conditions | Yield |
|---|---|
| In solid pressurizing (77 K, 15 kbar), releasing pressure (liq. N2), transferring(aluminium container), evacuating (20 mbar), cooling (5 or 15 K); |
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History
In the year 1931, Harold Urey discovered the isotope deuterium and was later able to concentrate it in water. Urey's mentor Gilbert Newton Lewis isolated the first sample of pure heavy water by electrolysis in 1933. George de Hevesy and Hoffer used heavy water in 1934 in one of the first biological tracer experiments, to estimate the rate of turnover of water in the human body. The history of large-quantity production and use of heavy water in early nuclear experiments is given below.
Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Specification
The Heavy water with CAS registry number of 7789-20-0 is also known as Deuterium oxide. The IUPAC name is (2H2)water. It belongs to product categories of Inorganics; Heavy Water (Deuterium Oxide); Alphabetical Listings; D; Stable Isotopes. Its EINECS registry number is 232-148-9. In addition, the formula is D2O and the molecular weight is 20.03. The chemical is a colourless liquid and should be stored in sealed containers in cool, dry place. What's more, it is obtained by liquid hydrogen distillation. During using it, avoid contact with skin and eyes.
Physical properties about Heavy water are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)Index of Refraction: 1.329; (6)Molar Refractivity: 3.676 cm3; (7)Molar Volume: 18.045 cm3; (8)Polarizability: 1.457×10-24cm3; (9)Surface Tension: 72.269 dyne/cm; (10)Density: 1.11 g/cm3; (11)Enthalpy of Vaporization: 40.65 kJ/mol; (12)Boiling Point: 100 °C at 760 mmHg; (13)Vapour Pressure: 24.475 mmHg at 25 °C.
Uses of Heavy water: it is used in nuclear magnetic resonance spectroscopy when the solvent of interest is water and the nuclide of interest is hydrogen. It is often used as the source of deuterium for preparing specifically labelled isotopologs of organic compounds and used instead of water when collecting FTIR spectra of proteins in solution. What's more, it is used in certain types of nuclear reactors where it acts as a neutron moderator to slow down neutrons.
You can still convert the following datas into molecular structure:
1. SMILES: [2H]O[2H]
2. InChI: InChI=1/H2O/h1H2/i/hD2
3. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACEI
4. Std. InChI: InChI=1S/H2O/h1H2/i/hD2
5. Std. InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N