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n-Butylbenzene is the organic compound with the formula C 6 H 5 C 4 H 9. Of two isomers of butylbenzene, n -butylbenzene consists of a phenyl group attached to the 1 position of a butyl group. It is a slightly greasy, colorless liquid.
Some tools, such as Jmol and KiNG, [2] could read PDB files in gzipped format. The wwPDB maintained the specifications of the PDB file format and its XML alternative, PDBML. There was a fairly major change in PDB format specification (to version 3.0) in August 2007, and a remediation of many file problems in the existing database. [3]
The XYZ file format is a chemical file format. There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines. [ 1 ]
In organic chemistry, butyl is a four-carbon alkyl radical or substituent group with general chemical formula −C 4 H 9, derived from either of the two isomers (n-butane and isobutane) of butane.
Std entropy change of vaporization, Δ vap S o: 113.6 J/(mol·K) at 25 °C 87.1 J/(mol·K) at 80.1 °C Solid properties Std enthalpy change of formation, Δ f H o solid? kJ/mol Standard molar entropy, S o solid: 45.56 J/(mol K) Heat capacity, c p: 118.4 J/(mol K) at 0 °C Liquid properties Std enthalpy change of formation, Δ f H o liquid +48.7 ...
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tert-Butylbenzene is an organic compound classified as an aromatic hydrocarbon. Its structure consists of a benzene ring substituted with a tert -butyl group . It is a flammable colorless liquid which is nearly insoluble in water but miscible with organic solvents.
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