Deuterium oxide, a deuterated solvent, is a standard prurity solvent for NMR (Nuclear Magnetic Resonance) analyses. Various thermodynamic properties (such as intermolecular vibrational frequencies, energy of the hydrogen bond, free energy, enthalpy and entropy) of liquid deuterium oxide have been evaluated. Ionization constant for D2O (in the range of 5-50C), pK values (at 25C) and enthalpy, entropy, heat capacity change (for the dissociation of D2O) have been reported.
Synonyms: Heavy water; Water-d2
Molecular Formula: D2O
Molecular Weight: 20.03
Linear Structural Formula: D2O
MDL Number: MFCD00044636
Melting Point: 3.8 C (lit.)
Application: Deuterium oxide may be used:
•To prepare trifluoroacetic acid-d by reacting with trifluoroacetic anhydride.
•As a deuteration agent for primary and secondary alcohols at the β-carbon position via H/D exchange reaction in the presence of ruthenium catalyst.
•Along with hexamethyldisilane as a deuterium transfer reagent for alkynes to form (E)-1,2-dideuterioalkenes in the presence of a palladium complex.
Density: 1.107 g/mL at 25°C(lit.)
Isotopic Purity: 99.9 atom % D
Refractive Index: n20/D 1.328(lit.)