Water
Properties, data and information sources.
Contents
Water is an inorganic chemical compound.
Names and Identifiers
Formula
H2O
Molar mass
18.015 (g/mol)
CAS registry number
7732-18-5
EC number EINECS
231-791-2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Systematic name
Oxidane
Other names, synonyms
Dihydrogen oxide; Dihydrogen Monoxide; Dihydridooxygen
INCI name
WATER
Latin name
Aqua
Chemical formulas
Molecular formula and structural formula of Water:
H2O
Mr = 18.015 g/mol
Oxidane
SMILES: O
Data and Properties
Pure water is a clear, odorless, colorless liquid.
The H-O bond distance in the water molecule is 95.84 pm and the bond angle is 104.45°.
melting point
0.00 °C
boiling point
100 °C
viscosity
1.0019 mPa s at 20 °C
surface tension
72 mN/m at 20 °C
refractive index
nD = 1.333 at 20 °C
standard enthalpy of formation
-285.83 kJ/mol [l]
-241.826 kJ/mol [g]
standard entropie
69.95 J/(mol K) at 25 °C
Gibbs free energy
-237.24 kJ/mol
enthalpy of vaporization
2453 kJ/kg at 20 °C
melting enthalpy
6.01 kJ/mol
heat capacity
75.366 J/(mol K) at 20 °C
thermal conductivity
0.597 W/(m K) at 20 °C
critical points
373.946 °C / 22.064 MPa / 322 kg/m3
triple point
0.01 °C / 6.11655 hPa
dipole moment
1.8546 D
permittivity
80.35 at 20 °C
(dielectric constant)
Spectroscopic data:
SPLASH (mass spectra)
splash10-0006-0940000000-08a1813d85727d668cf4
splash10-0a4l-0980000000-5b109ff45e0e5e5051ae
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)Cz3wO46i3MG Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)HMDB0002111
Percentage and isotopic composition:
Mass-related elemental composition and isotope proportions of the compound Water - H2O - calculated based on molecular mass.
Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massH
Hydrogen2 Ar = 1.008 u
ΣAr = 2.016 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
3H: trace
1H: 11.18956 %
2H: 0.00112 %
11.1907 %O
Oxygen1ΣAr = 15.999 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
16O: 88.59352 %
17O: 0.03406 %
18O: 0.18206 %
88.8093 % *) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
More calculated data
The molar mass is M = 18.015 grams per mole.
The amount of substance in one kilogram of the substance is n = 55.509 mol.
The amount of substance in one gram of the substance is n = 0.056 mol.
Monoisotopic mass: 18.0105646834 Da - related to 1H216O.
Use in Cosmetics
INCI Name: WATER
In the EU, water is an approved ingredient in cosmetic products for its function as a plaque-inhibiting and skin-care component and, in particular, as a solvent. In contrast to the INCI name Aqua, this primarily refers to purified water, i.e. distilled, deionized or pure water obtained using other methods.
Source: CosIng (Cosmetic Ingredient Database) number: 92472.
External Sources
PubChem:ID 962ChemSpider:ID 937Kegg database DBGET:ID C00001UNII of the FDA (USA):Unique Ingredient Identifier 059QF0KO0REPA CompTox Chemicals Dashboard:DTXSID6026296NCI Thesaurus:C65147 (active ingredient description)Other CAS RN:558440-22-5; 558440-53-2; 1202864-49-0; 1371582-34-1; 652133-48-7 (also used, outdated or deleted registration numbers)
Manufacturers and Sources of Supply
The table below lists producers and suppliers of Water as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
Literature Sources
[0] - Specialist and research articles in scientific journals via PubMed: Water.
Last update: 2024-08-30
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