% -------------------------------------------------------------------------- % the SUBSTANCES package % % A Chemical Database % % -------------------------------------------------------------------------- % Clemens Niederberger % Web: https://bitbucket.org/cgnieder/substances/ % E-Mail: contact@mychemistry.eu % -------------------------------------------------------------------------- % Copyright 2012--2016 Clemens Niederberger % % This work may be distributed and/or modified under the % conditions of the LaTeX Project Public License, either version 1.3 % of this license or (at your option) any later version. % The latest version of this license is in % http://www.latex-project.org/lppl.txt % and version 1.3 or later is part of all distributions of LaTeX % version 2005/12/01 or later. % % This work has the LPPL maintenance status `maintained'. % % The Current Maintainer of this work is Clemens Niederberger. % -------------------------------------------------------------------------- % The substances package consists of the files % - substances.sty, substances-default.def, substances-examples.sub, % substances_en.tex, substances_en.pdf, README % -------------------------------------------------------------------------- % If you have any ideas, questions, suggestions or bugs to report, please % feel free to contact me. % -------------------------------------------------------------------------- % % example database to the package `substances' % \SubstancesDatabase{substances-example} \ProvideChemIUPAC\normal{\textit{n}} \DeclareSubstance{NaCl}{ name = Sodium|chloride , sort = Sodiumchloride , formula = NaCl , CAS = 7647-14-5, mass = 58.44 , mp = 801 , bp = 1465 , phase = solid , density = 2.17 } \DeclareSubstance{HCl}{ name = Hydro|chloric Acid , sort = Hydrochloric Acid , formula = HCl , CAS = 7647-01-0 , pictograms = {acid,exclam} , H = {314,335} , P = {260,301+330+331,303+361+353,305+351+338,405,501} , mass = 36.46 , density = 1.19 , mp = -30 } \DeclareSubstance{HNO3}{ name = Nitric Acid , sort = Nitric Acid , formula = HNO3 , CAS = 7697-37-2 , PubChem = 944 , mass = 63.01 , density = 1.51 , mp = -42 , bp = 86 , pKa = -1.37 , pictograms = {flame-O,acid} , H = {272,314} , P = {220,280,305+351+338,310} } \DeclareSubstance{H2SO4}{ name = Sulfuric Acid , sort = Sulfuric Acid , formula = H2SO4 , structure = {H-[:30]\Lewis{26,O}-S(=[2]\Lewis{13,O})(=[6]\Lewis{57,O})-\Lewis{26,O}-[:-30]H} , CAS = 7664-93-9 , PubChem = 1118 , mass = 98.08 , density = 1.8356 , mp = 10.38 , bp = 279.6 , phase = liquid , pKa = -3.0 , pKa1 = -3.0 , pKa2 = 1.9 , pictograms = acid , H = 314 , P = {280,301+330+331,309,310,305+351+338} , LD50 = 510 } \DeclareSubstance{methane}{ name = Methane , sort = Methane , formula = CH4 , structure = H-C(-[2]H)(-[6]H)-H , CAS = 74-82-8 , PubChem = 297 , pictograms = {flame,bottle} , H = 220 , P = {210,377,381,410+403} , mass = 16.04 , density = 0.72e-3 , mp = -182 , bp = -162 , phase = gaseous } \DeclareSubstance{ethane}{ name = Ethane , sort = Ethane , formula = C2H6 , structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H , CAS = 74-84-0 , PubChem = 6324 , pictograms = {flame,bottle} , H = 220 , P = {210,377,381,403} , mass = 30.07 , density = 0.72e-3 , mp = -183 , bp = -89 , phase = gaseous } \DeclareSubstance{propane}{ name = Propane , sort = Propane , formula = C3H8 , structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H , CAS = 74-98-6 , pictograms = {flame,bottle} , H = 220 , P = {201,377,381,403} , mass = 44.10 , density = 2.01e-3 , mp = -188 , bp = -42 , phase = gaseous } \DeclareSubstance{butane}{ name = Butane , sort = Butane , alt = \normal-Butane , altsort = n-Butane , formula = C4H10 , structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H , CAS = 106-97-8 , PubChem = 7843 , pictograms = {flame,bottle} , H = {220,280} , P = {201,377,381,403} , mass = 58.12 , density = 2.71e-3 , mp = -138.3 , bp = -0.5 , phase = gaseous } \DeclareSubstance{pentane}{ name = Pentane , sort = Pentane , alt = \normal-Pentane , altsort = n-Pentane , formula = C5H12 , structure = H-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-C(-[2]H)(-[6]H)-H , CAS = 109-66-0 , PubChem = 8003 , pictograms = {flame,health,exclam,aqpol} , H = {225,304,336,411} , EUH = 066 , P = {273,301+310,331,403+235} , mass = 72.15 , density = 0.63 , mp = -130 , bp = 36 , phase = liquid } \DeclareSubstance{hexane}{ name = Hexane , sort = Hexane , alt = \normal-Hexane , altsort = n-Hexane , formula = C6H14 , structure = -[:30]-[:-30]-[:30]-[:-30]-[:30] , CAS = 110-54-3 , PubChem = 8058 , pictograms = {flame,health,exclam,aqpol} , H = {225,361f,304,373,315,336,411} , P = {210,240,273,301+310,331,302+352,403+235} , mass = 86.18 , density = 0.66 , mp = -95 , bp = 69 , phase = liquid } \DeclareSubstance{heptane}{ name = Heptane , sort = Heptane , alt = \normal-Heptane , altsort = n-Heptane , formula = C7H16 , structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30] , CAS = 142-82-5 , PubChem = 8900 , pictograms = {flame,health,exclam,aqpol} , H = {225,304,315,336,410} , P = {210,273,301+310,331,302+352,403+235} , mass = 100.21 , density = 0.68 , mp = -91 , bp = 98 , phase = liquid } \DeclareSubstance{octane}{ name = Octane , sort = Octane , alt = \normal-Octane , altsort = n-Octane , formula = C8H18 , structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30] , CAS = 111-65-9 , PubChem = 356 , pictograms = {flame,health,exclam,aqpol} , H = {225,304,315,336,410} , P = {210,273,301+330+331,302+352} , mass = 114.23 , density = 0.70 , mp = -56.8 , bp = 126 , phase = liquid } \DeclareSubstance{nonane}{ name = Nonane , sort = Nonane , alt = \normal-Nonane , altsort = n-Nonane , formula = C9H20 , structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30] , CAS = 111-84-2 , PubChem = 8141 , pictograms = {flame,exclam,health} , H = {226,304,315,319,332,336,413} , P = {261,301+310,305+351+338,331} , mass = 128.26 , density = 0.72 , mp = -54 , bp = 151 , phase = liquid } \DeclareSubstance{decane}{ name = Decane , sort = Decane , alt = \normal-Decane , altsort = n-Decane , formula = C10H22 , structure = -[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30]-[:-30]-[:30] , CAS = 124-18-5 , PubChem = 15600 , pictograms = {flame,health} , H = {226,304} , P = {210,260,262,301+310,331} , mass = 142.29 , density = 0.73 , mp = -29.7 , bp = 174 , phase = liquid } \DeclareSubstance{acetone}{ name = Propanone , sort = Propanone , alt = Acetone , altsort = Acetone , formula = C3H6O , structure = {-[:30](=[2]\Lewis{13,O})-[:-30]} , CAS = 67-64-1 , PubChem = 180 , mass = 58.08 , density = 0.79 , mp = -95 , bp = 56 , pictograms = {flame,exclam} , H = {225,319,336} , EUH = {066} , P = {210,233,305+351+338} , LD50 = 5800 } \endinput