% --------------------------------------------------------------------------
% 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