Template:Chem molar mass/doc#Rounding and uncertainty

This template calculates the molecular mass (or molar mass) of a chemical compound. It is designed to be embedded in infoboxes {{tl|Infobox drug}} and {{tl|Chembox}}, but it can be used in-line just as well.

Rounding and uncertainty

:(to be documented, 2019-02-09)

Parameters

Use chemical symbols to compose the molecular formula:

{{Chem molar mass|H=2|O=1}} (for {{chem2|H2O}}) → {{Chem molar mass|H=2|O=1}}

:{{para|round}}

:{{para|unit}}

The next parameters will always show:

/>{{para|fixed}} to enter a fixed (predefined) value+unit. It will overwrite any calculated value+unit.

{{para|ref|<ref>some source}} will add the reference right after the unit.

{{para|comment|Any text}}is added as a suffix, after a space and unedited (no brackets added etc.).

Example:

:{{Chem molar mass|fixed=234.56 g·mol⁻¹|ref=Some source|comment=My Comment}} → {{nowrap|1={{Chem molar mass|fixed=234.56 g·mol⁻¹|ref=Some source|comment=My Comment}}}}

{{para|sortable|yes}}, for use in sortable tables: will add a hidden sortable number, and omits the unit (see table below).

Blank parameter list

style="max-width:100%;"

{{Chem molar mass

| round =

| unit =

| fixed =

| ref =

| comment =

| sortable=

}}

{{Chem molar mass

|D= |H= |He= |Li= |Be= |B= |C= |N= |O= |F= |Ne= |Na= |Mg= |Al= |Si= |P= |S= |Cl= |Ar= |K= |Ca= |Sc= |Ti= |V= |Cr= |Mn= |Fe= |Co= |Ni= |Cu= |Zn= |Ga= |Ge= |As= |Se= |Br= |Kr= |Rb= |Sr= |Y= |Zr= |Nb= |Mo= |Tc= |Ru= |Rh= |Pd= |Ag= |Cd= |In= |Sn= |Sb= |Te= |I= |Xe= |Cs= |Ba= |La= |Ce= |Pr= |Nd= |Pm= |Sm= |Eu= |Gd= |Tb= |Dy= |Ho= |Er= |Tm= |Yb= |Lu= |Hf= |Ta= |W= |Re= |Os= |Ir= |Pt= |Au= |Hg= |Tl= |Pb= |Bi= |Po= |At= |Rn= |Fr= |Ra= |Ac= |Th= |Pa= |U= |Np= |Pu= |Am= |Cm= |Bk= |Cf= |Es= |Fm= |Md= |No= |Lr= |Rf= |Db= |Sg= |Bh= |Hs= |Mt= |Ds= |Rg= |Cn= |Nh= |Lv= |Mc= |Fl= |Ts= |Og=

| round =

| unit =

| fixed =

| ref =

| comment =

| sortable=

}}

Standard atomic weights used

=Data sources (CIAAW) =

Primarily, the atomic weights used here are defined by CIAAW [http://www.ciaaw.org/publications.htm]:

{{cite web|title=Standard Atomic Weights|url=http://www.ciaaw.org/atomic-weights.htm|author=|date=2015|accessdate=2015-09-20|publisher=Commission on Isotopic Abundances and Atomic Weights (CIAAW)}} (68 elements)
CIAAW also published additional lists in spreadsheet format (2013). It has additional conventional values for trade usage, and some background information on the numbers and calculations. (12 elements: B, Br, C, Cl, H, Li, Mg, N, O, S, Si, Tl).

:{{cite web|title=Atomic weights of the elements 2013 (xls) |url=http://www.ciaaw.org/publications.htm |first1=T.B.|last1=Coplen|first2=W.A.|last2=Brand|display-authors=1|date=2013 |accessdate=2015-05-26|publisher=CIAAW}}

Some unstable elements can naturally occur, and so are listed (4 elements: Bi, Th, Pa, U)
Additional values are those of the most stable isotopes, as given in List of chemical elements (34 elements). This source is not supported by the CIAAW publications.

See also: {{cite web|url=https://www.degruyter.com/view/j/pac.2016.88.issue-3/pac-2015-0305/pac-2015-0305.xml|title=Atomic weights of the elements 2013 (IUPAC Technical Report)|journal=Pure and Applied Chemistry|volume=Volume 88, Issue 3|pp=265–291|ISSN=0033-4545|EISSN=1365-3075 |doi=10.1515/pac-2015-0305|date=February 2016|accessdate=2016-12-29}}

{{cite web|url=https://www.degruyter.com/view/j/pac.2018.90.issue-2/pac-2016-0402/pac-2016-0402.xml|title=Interpreting and propagating the uncertainty of the standard atomic weights (IUPAC Technical Report)|date=2018-01-04 | doi=10.1515/pac-2016-0402|access-date=2018-09-23

|first1=Antonio |last1=Possolo

|first2=Adriaan M. H. |last2=van der Veen

|first3=Juris |last3=Meija

|first4=D. Brynn |last4=Hibbert}}

Embedding in a template

The template is designed to be embedded in a template like {{tl|Drugbox}}. The molecular formula can be entered like ...|H=2|O=1, and these values then are passed through to this subtemplate, together with the other parameters like |round=.

Units

{{para|unit}}

:1. When some {{para|unit|kg/mol}} is used, it is added as is, always ("by the editor").

:2. When {{para|fixed}} is used, no unit is added to this (could be in it already).

:3. When {{para|sortable}} is used, no unit is added by the template (expected: put in top of table column).

:4. When value is calculated, unit g/mol is added by template.

:5. There is automatic no conversion from g to kg.

Uncertainty handling

Uncertainty is ignored.

:: Calcium: A_r(Ca) being 40.078(4) is read and calculated as 40.078(0)

Elements having interval notation are calculated by their conventional value.

::Hydrogen: [{{val|1.00784}}, {{val|1.00811}}] is calculated using conventional: 1.008(0)

=Calculate cumulative uncertainties=

{{cite web|url=https://www.degruyter.com/view/j/pac.2018.90.issue-2/pac-2016-0402/pac-2016-0402.xml|accessdate=2019-02-08|date=2018-01-04|title=Interpreting and propagating the uncertainty of the standard atomic weights (IUPAC Technical Report)|first1=Antonio|last1=Possolo|first2=Adriaan M.H.|last2=van der Veen|first3=Juris|last3=Meija|first4=D.|last4=Brynn Hibbert}}
[http://www.rit.edu/~w-uphysi/uncertainties/Uncertaintiespart2.html], [http://ipl.physics.harvard.edu/wp-uploads/2013/03/PS3_Error_Propagation_sp13.pdf]

Tracking categories

{{clc|Articles with erroneous molar mass calculations}}
{{clc|Pages using Chem molar mass with unsupported parameters}}

TemplateData

{{collapse top|title=Parameter list (all element symbols, and template options)}}

{

"params": {

"H": {},

"D": {},

"Li": {},

"B": {},

"C": {},

"N": {},

"O": {},

"Mg": {},

"Si": {},

"S": {},

"Cl": {},

"Br": {},

"Tl": {},

"He": {},

"Be": {},

"F": {},

"Ne": {},

"Na": {},

"Al": {},

"P": {},

"K": {},

"Ar": {},

"Ca": {},

"Sc": {},

"Ti": {},

"V": {},

"Cr": {},

"Mn": {},

"Fe": {},

"Ni": {},

"Co": {},

"Cu": {},

"Zn": {},

"Ga": {},

"Ge": {},

"As": {},

"Se": {},

"Kr": {},

"Rb": {},

"Sr": {},

"Y": {},

"Zr": {},

"Nb": {},

"Mo": {},

"Ru": {},

"Rh": {},

"Pd": {},

"Ag": {},

"Cd": {},

"In": {},

"Sn": {},

"Sb": {},

"I": {},

"Te": {},

"Xe": {},

"Cs": {},

"Ba": {},

"La": {},

"Ce": {},

"Pr": {},

"Nd": {},

"Sm": {},

"Eu": {},

"Gd": {},

"Tb": {},

"Dy": {},

"Ho": {},

"Er": {},

"Tm": {},

"Yb": {},

"Lu": {},

"Hf": {},

"Ta": {},

"W": {},

"Re": {},

"Os": {},

"Ir": {},

"Pt": {},

"Au": {},

"Hg": {},

"Pb": {},

"Bi": {},

"Pa": {},

"Th": {},

"U": {},

"Tc": {},

"Pm": {},

"Po": {},

"At": {},

"Rn": {},

"Fr": {},

"Ra": {},

"Ac": {},

"Np": {},

"Pu": {},

"Am": {},

"Cm": {},

"Bk": {},

"Cf": {},

"Es": {},

"Fm": {},

"Md": {},

"No": {},

"Lr": {},

"Rf": {},

"Db": {},

"Sg": {},

"Bh": {},

"Hs": {},

"Mt": {},

"Ds": {},

"Rg": {},

"Cn": {},

"Nh": {},

"Fl": {},

"Mc": {},

"Lv": {},

"Ts": {},

"Og": {},

"round": {},

"unit": {},

"ref": {},

"comment": {},

"fixed": {},

"sortable": {}

}