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An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
R ∗ = 8.314 32 × 10 3 N⋅m⋅kmol −1 ⋅K −1 = 8.314 32 J⋅K −1 ⋅mol −1. Note the use of the kilomole, with the resulting factor of 1000 in the constant. The USSA1976 acknowledges that this value is not consistent with the cited values for the Avogadro constant and the Boltzmann constant. [ 13 ]
For convenience in avoiding conversions in the imperial (or US customary units), some engineers adopted the pound-mole (notation lb-mol or lbmol), which is defined as the number of entities in 12 lb of 12 C. One lb-mol is equal to 453.592 37 g‑mol, [6] which is the same numerical value as the number of grams in an international avoirdupois pound.
The SI unit of molar absorption coefficient is the square metre per mole (m 2 /mol), but in practice, quantities are usually expressed in terms of M −1 ⋅cm −1 or L⋅mol −1 ⋅cm −1 (the latter two units are both equal to 0.1 m 2 /mol). In older literature, the cm 2 /mol is sometimes used; 1 M −1 ⋅cm −1 equals 1000 cm 2 /mol.
The molar mass of atoms of an element is given by the relative atomic mass of the element multiplied by the molar mass constant, M u ≈ 1.000 000 × 10 −3 kg/mol ≈ 1 g/mol. For normal samples from Earth with typical isotope composition, the atomic weight can be approximated by the standard atomic weight [ 2 ] or the conventional atomic weight.
The Avogadro constant, commonly denoted N A [1] or L, [2] is an SI defining constant with an exact value of 6.022 140 76 × 10 23 mol −1 (reciprocal moles). [3] [4] It is this defined number of constituent particles (usually molecules, atoms, ions, or ion pairs—in general, entities) per mole and used as a normalization factor in relating the amount of substance, n(X), in a sample of a ...
Historically, the mole was defined as the amount of substance in 12 grams of the carbon-12 isotope.As a consequence, the mass of one mole of a chemical compound, in grams, is numerically equal (for all practical purposes) to the mass of one molecule or formula unit of the compound, in daltons, and the molar mass of an isotope in grams per mole is approximately equal to the mass number ...
Bond dissociation energy for the carbon monoxide (CO) triple bond, alternatively stated: 1072 kJ/mol; 11.11eV per molecule. [21] This is the strongest chemical bond known. 2.18×10 −18 J: Ground state ionization energy of hydrogen (13.6 eV) 10 −17 2–2000×10 −17 J Energy range of X-ray photons [8] 10 −16 10 −15: femto-(fJ) 3 × 10 ...