Template:Chembox Thermochemistry: Difference between revisions

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This template uses Lua:

Module:TemplatePar

Usage

This box can be used as a module in the {{chembox}}. Copy the left column into an enveloping {{Chembox|...}}.

Complete list

This parameter list:

| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref =
| HeatCapacity = 
| Entropy = 
| DeltaHform = 
| DeltaGfree = 
| DeltaHcombust =
| DeltaHfus =
| DeltaHvap =
| DeltaHsublim =
| HHV =
| LHV =
 }}

{{Chembox Thermochemistry}}
Header reference
Specific heat capacity
Standard molar entropy
Standard enthalpy change of formation
Gibbs free energy
Standard enthalpy change of combustion



Heat of combustion#Higher heating value
Heat of combustion#Lower heating value

Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>

-->

Example

Carbon monoxide:

Carbon monoxide
Thermochemistry^[1]
Heat capacity (C)	29.1 J/(K mol)
Std molar entropy (S^⦵₂₉₈)	197.7 J·mol⁻¹·K⁻¹
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−110.5 kJ·mol⁻¹
Gibbs free energy (Δ_fG^⦵)	201.585 kJ/mol
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−283.4 kJ/mol
Heat of combustion, higher value (HHV)	283.4 kJ/mol
Heat of combustion, lower value (LHV)	283.4 kJ/mol
Enthalpy of fusion (Δ_fH^⦵_fus)	12.8 J/kg
Enthalpy of vaporization (Δ_fH_vap)	216000 J/kg
Enthalpy of sublimation (Δ_fH_sublim)	8 kJ/mol (at 51-68 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

{{Chembox
| Name = Carbon monoxide
| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref = <ref>www.example.com</ref>
| HeatCapacity = 29.1 J/(K mol)
| Entropy = 197.7&nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>
| DeltaHform = −110.5&nbsp;kJ·mol<sup>−1</sup>
| DeltaGfree = 201.585 kJ/mol
| DeltaHcombust = −283.4 kJ/mol
| DeltaHfus = 12.8 J/kg 
| DeltaHvap = 216000 J/kg
| DeltaHsublim = 8 kJ/mol (at 51-68 K) 
| HHV = 283.4 kJ/mol
| LHV = 283.4 kJ/mol
  }}
}}

Note: Normally HHV and LHV are used for compounds that contain hydrogen, otherwise they are equal.

Tracking category

Category:Pages using Chembox with unknown parameters (11)

TemplateData

TemplateData documentation used by VisualEditor and other tools

Chembox Thermochemistry

[[Category:Templates using TemplateData{{#translation:}}]]

Adds a subsection to {{Chembox}}. To be used: |Section4={{Chembox Thermochemistry|...}}

Template parameters
This template prefers block formatting of parameters.
Parameter		Description	Type	Status
Thermochemistry_ref	`Thermochemistry_ref`	no description	Unknown	optional
HeatCapacity	`HeatCapacity`	no description	Unknown	optional
Entropy	`Entropy`	no description	Unknown	optional
DeltaHf	`DeltaHf`	no description	Unknown	optional
DeltaGf	`DeltaGf`	no description	Unknown	optional
DeltaHc	`DeltaHc`	no description	Unknown	optional
HHV	`HHV`	no description	Unknown	optional
LHV	`LHV`	no description	Unknown	optional
DeltaHform	`DeltaHform`	no description	Unknown	optional
DeltaGfree	`DeltaGfree`	no description	Unknown	optional
DeltaHcombust	`DeltaHcombust`	no description	Unknown	optional
DeltaHfus	`DeltaHfus`	no description	Unknown	optional
DeltaHvap	`DeltaHvap`	no description	Unknown	optional
DeltaHsublim	`DeltaHsublim`	no description	Unknown	optional

References

↑ www.example.com

{{Chembox
| Chembox_ref =
<!-- Names -->
| Name =
| pronounce =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections --> 
| Section1 = 
| Section2 = 
| Section3 = 
| Section4 = 
| Section5 = 
| Section6 = 
| Section7 = 
| Section8 = 
| Section9 = 
<!-- Style settings  -->
| style =
| width =
<!-- Bot parameter. Do not add, change or remove -->
| Verifiedfields = 
| Watchedfields = 
| verifiedrevid =
<!-- IMAGE row 1/7 -->
| ImageFile = 
| ImageSize = 
| ImageAlt  = 
| ImageCaption = 
| ImageName = 
<!-- IMAGE row 2/7 -->
| ImageFile1 = 
| ImageSize1 = 
| ImageAlt1  = 
| ImageCaption1 = 
| ImageName1 = 
<!-- IMAGE (L1, R1) row 3/7 -->
| ImageFileL1 = 
| ImageSizeL1 = 
| ImageAltL1  = 
| ImageCaptionL1 = 
| ImageNameL1 = 
| ImageFileR1 = 
| ImageSizeR1 = 
| ImageAltR1  = 
| ImageCaptionR1 = 
| ImageNameR1 = 
| ImageCaptionLR1 = 
<!-- IMAGE row 4/7 -->
| ImageFile2 = 
| ImageSize2 = 
| ImageAlt2  = 
| ImageCaption2 = 
| ImageName2 = 
<!-- IMAGE (L2, R2) row 5/7 -->
| ImageFileL2 = 
| ImageSizeL2 = 
| ImageAltL2  = 
| ImageCaptionL2 = 
| ImageNameL2 = 
| ImageFileR2 = 
| ImageSizeR2 = 
| ImageAltR2  = 
| ImageCaptionR2 = 
| ImageNameR2 = 
| ImageCaptionLR2= 
<!-- IMAGE row 6/7 -->
| ImageFile3 = 
| ImageSize3 = 
| ImageAlt3  = 
| ImageCaption3 = 
| ImageName3 = 
<!-- IMAGE (L3, 3R) row 7/7 -->
| ImageFileL3 = 
| ImageSizeL3 = 
| ImageAltL3  = 
| ImageCaptionL3 = 
| ImageNameL3 = 
| ImageFileR3 = 
| ImageSizeR3 = 
| ImageAltR3  = 
| ImageCaptionR3 = 
| ImageNameR3 = 
| ImageCaptionLR3= 
<!-- -->
| ImageCaptionAll =
<!-- non-default (data page) pagename (link in Supplement) -->
| data page pagename =
<!-- footer settings -->
| container_only =
| show_footer =

| show_ss_note =
| show_infobox_ref =
| general_note =
}}

Identifiers

This parameter list:

|Section1={{Chembox Identifiers
| Identifiers_ref =
<!--index labeling-->
| index_label = 
| index1_label = 
| indexlist_caption = 
| index_comment = 
| index1_comment = 
<!--CASNo, +ix 1–5-->
| CASNo = 
| CASNo_Comment = 
| CASNo1 = 
| CASNo1_Comment = 
| CASNoOther = 
<!--ChEBI, +ix 1–5-->
| ChEBI = 
| ChEBI_Comment = 
| ChEBI1 = 
| ChEBI1_Comment =
| ChEBIOther = 
<!--ChEMBL, +ix 1–5-->
| ChEMBL = 
| ChEMBL_Comment = 
| ChEMBL1 = 
| ChEMBL1_Comment =
| ChEMBLOther = 
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID = 
| ChemSpiderID_Comment = 
| ChemSpiderID1 = 
| ChemSpiderID1_Comment = 
| ChemSpiderIDOther = 
<!--DrugBank, +ix 1–5-->
| DrugBank = 
| DrugBank_Comment = 
| DrugBank1 = 
| DrugBank1_Comment = 
| DrugBankOther = 
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand = 
| IUPHAR_ligand_Comment = 
| IUPHAR_ligand1 = 
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other = 
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment = 
| KEGG1 = 
| KEGG1_Comment =
| KEGGOther = 
<!--PubChem, +ix 1–5-->
| PubChem = 
| PubChem_Comment = 
| PubChem1 = 
| PubChem1_Comment = 
| PubChemOther = 
<!--SMILES, Jmol 1–5-->
| SMILES = 
| SMILES_Comment = 
| SMILES1 = 
| SMILES1_Comment =
| SMILESOther =
| Jmol =
| Jmol1 = 
<!--StdInChI-->
| StdInChI = 
| StdInChI_Comment = 
| StdInChIKey = 
<!--InChI, InChIKey: index 1–5-->
| InChI = 
| InChI_Comment = 
| InChIKey = 
| InChI1 = 
| InChI1_Comment = 
| InChIKey1 =
| InChIOther = 
<!--UNII, +ix 1–5-->
| UNII = 
| UNII_Comment = 
| UNII1 = 
| UNII1_Comment = 
| UNIIOther =
<!--DTXSID (CompTox), +ix 1–5-->
| DTXSID =
| DTXSID1 ... DTXSID5 =
| DTXSIDOther =
<!--3DMet, +ix 1–5-->
| 3DMet = 
<!--EC_number, +ix 1–5-->
| EC_number = 
| EC_number1 ... EC_number5 = 
| EC_number_Comment = 
| EINECS =
<!--RTECS, +ix 1–5-->
| RTECS =
| RTECS1 ... RTECS5 =
| RTECSOther =
<!--non-index parameters-->
| Abbreviations = 
| Beilstein = 
| Gmelin = 
| MeSHName =
| UNNumber =
}}

{{Chembox Identifiers}}







------
CAS registry number, links to http://www.commonchemistry.org/
 CAS registry number comment


Other CAS RN (unformatted)
------
ChEBI, links to http://www.ebi.ac.uk/chebi/




------
ChEMBL




------
ChemSpider ID, links to http://www.chemspider.com/
 ChemSpider ID comment


Other ChemSpider ID
------
DrugBank
 comment


Other DrugBank
------
IUPHAR/BPS
 comment


Other IUPHAR
------
KEGG entry, links to http://www.genome.jp/kegg/




------
PubChem compound ID, links to https://pubchem.ncbi.nlm.nih.gov/
 PubChem compound ID comment


Other PubChem compound ID
------
SMILES
 SMILES comment


Other SMILES


------
StdInChI
 StdInChI comment
StdInChI Key
------
InChI
 InChI comment
InChI Key



Other InChI
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment


Other UNII
------
DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)













------
Abbreviations
Beilstein reference
Gmelin ID
MeSH heading, links to https://www.nlm.nih.gov/mesh/
UN number

Properties

This parameter list:

| Section2={{Chembox Properties
| Properties_ref = 
| Formula = 
| Formula_ref = 
| Formula_Comment = 
| C= | H= | N= <!--(etc)-->
| Formula_Charge =
| MolarMass =
| MolarMassRound =
| MolarMass_ref = 
| MolarMass_notes = 
| Appearance = 
| Odor = | Odour = 
| Density = 
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
| CriticalTP =
| SublimationConditions = 
| Solubility = 
| SolubilityProduct = 
| SolubilityProductAs = 
| SolubleOther = 
| Solvent = 
| Solubility1 = 
| Solvent1 = 
| Solubility2 = 
| Solvent2 = 
| Solubility3 = 
| Solvent3 = 
| Solubility4 = 
| Solvent4 = 
| Solubility5 = 
| Solvent5 =
| Solubility6 = 
| Solvent6 =
| CMC =
| HLB =
| LogP = 
| VaporPressure = 
| HenryConstant = 
| AtmosphericOHRateConstant = 
| pKa = 
| pKb = 
| ConjugateAcid =
| ConjugateBase =
| IsoelectricPt = 
| ElectricalResistivity =
| LambdaMax = 
| Absorbance = 
| BandGap = 
| ElectronMobility = 
| SpecRotation = 
| MagSus = 
| ThermalConductivity = 
| RefractIndex = 
| Viscosity = 
| CriticalRelativeHumidity = 
| Dipole = 
| OrbitalHybridisation = 
| SpecificSurfaceArea = 
| PoreVolume = 
| AveragePoreSize = 
  }}

{{Chembox Properties}} - incomplete list
Reference
Chemical formula
 reference
 comment
 per element (alternative input)
 molecule charge
MolarMass
MolarMassRound
MolarMass_ref
MolarMass_notes
Appearance
Odor, Odour
Density
MeltingPt, any text
Number, in Celsius. Is converted to F and K
 Also possible: MeltingPtF=, or MeltingPtK=
 
 
 
BoilingPt, any text
Number, in Celsius. Is converted to F and K
 Also possible: BoilingPtF=, or BoilingPtK=
 
 
Critical temperature and pressure
SublimationConditions
Solubility in water (Aqueous solution)
SolubilityProduct
SolubilityProductAs
SolubleOther
Solvent
Solubility1
[[{{{Solvent1}}}]]
Solubility2
[[{{{Solvent2}}}]]
Solubility3
[[{{{Solvent3}}}]]
Solubility4
[[{{{Solvent4}}}]]
Solubility5
[[{{{Solvent5}}}]]
Solubility6
[[{{{Solvent6}}}]]
 CMC
 HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
Conjugate acid
Conjugate base
IsoelectricPt
ElectricalResistivity
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize

Structure

Complete list

This parameter list:

| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct = 
| SpaceGroup = 
| PointGroup = 
| LattConst_a = 
| LattConst_b = 
| LattConst_c = 
| LattConst_alpha = 
| LattConst_beta = 
| LattConst_gamma = 
| LattConst_ref =
| LattConst_Comment = 
| UnitCellVolume = 
| UnitCellFormulas = 
| Coordination = 
| MolShape = 
| OrbitalHybridisation = 
| Dipole = 
  }}

{{Chembox Structure}}
Reference in header
Crystal structure
Space group (free text)
Molecular symmetry "Point group"
Lattice constant (a, b, c)


α, β, γ angles (don't add the ° sign)


Reference for the lattice values
Comment for lattice (any text)
Lattice volume
Number of formulas
Coordination geometry
Molecular geometry
Orbital hybridisation
Dipole moment

Thermochemistry

Complete list

This parameter list:

| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref =
| HeatCapacity = 
| Entropy = 
| DeltaHform = 
| DeltaGfree = 
| DeltaHcombust =
| DeltaHfus =
| DeltaHvap =
| DeltaHsublim =
| HHV =
| LHV =
 }}

{{Chembox Thermochemistry}}
Header reference
Specific heat capacity
Standard molar entropy
Standard enthalpy change of formation
Gibbs free energy
Standard enthalpy change of combustion



Heat of combustion#Higher heating value
Heat of combustion#Lower heating value

Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>

-->

Explosive

This parameter list:

| Section5 = {{Chembox Explosive
| Explosive_ref =
| ShockSens = 
| FrictionSens = 
| DetonationV = 
| REFactor = 
  }}

{{Chembox Explosive}}
Header reference
Shock  sensitivity
Friction sensitivity
Detonation velocity
Relative effectiveness factor

Complete list

Pharmacology

This parameter list:

| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix = 
| ATCCode_suffix = 
| ATC_Supplemental = 
| ATCvet =
| Drug_class =
| Licence_EU = 
| INN =
| INN_EMA = 
| Licence_US = 
| Legal_status = 
| Legal_AU = 
| Legal_AU_comment = 
| Legal_CA = 
| Legal_CA_comment = 
| Legal_NZ = 
| Legal_NZ_comment = 
| Legal_UK = 
| Legal_UK_comment = 
| Legal_US = 
| Legal_US_comment = 
| Legal_EU = 
| Legal_EU_comment = 
| Legal_UN = 
| Legal_UN_comment = 
| Pregnancy_category = 
| Pregnancy_AU = 
| Pregnancy_AU_comment = 
| Dependence_liability = 
| Addiction_liability = 
| AdminRoutes = 
| Bioavail = 
| ProteinBound = 
| Metabolism = 
| Metabolites = 
| OnsetOfAction = 
| HalfLife = 
| DurationOfAction = 
| Excretion = 
  }}

{{Chembox Pharmacology}}
Ordered as shown by template
 
Pharmacokinetics

Complete list

Hazards

This parameter list:

| Section7 = {{Chembox Hazards
| Hazards_ref =
| GHS_ref  = 
| GHSPictograms = 
| GHSSignalWord = 
| HPhrases = 
| PPhrases = 
| OHS_ref     =
| MainHazards = 
| IngestionHazard  = 
| InhalationHazard = 
| EyeHazard   = 
| SkinHazard  = 
| NFPA-H = 
| NFPA-F = 
| NFPA-I = 
| NFPA-S = 
| NFPA_ref = 
| FlashPt =
| FlashPtC =
| FlashPt_notes =
| FlashPt_ref =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPt_ref=
| AutoignitionPt_notes=
| ExploLimits = 
| TLV = 
| TLV-TWA = 
| TLV-STEL = 
| TLV-C = 
| LD50 = 
| LDLo = 
| LC50 = 
| LCLo = 
| PEL =
| REL = 
| IDLH =
| NIOSH_id =
| NIOSH_ref =
<!-- (data page) -->
| ExternalSDS = 
 }}

{{Chembox Hazards}} - complete list

GHS reference (e.g. Template:Sigma-Aldrich)
GHS pictograms. Use GHS templates, e.g., ={{GHS01}}{{GHS07}}
GHS signal word ("Danger", "Warning")
GHS hazard statements. Use {{H-phrases}}
GHS precautionary statements. Use {{P-phrases}}





{{NFPA 704 diamond}}:
Health (blue) hazard code (0–4 or -)
Flammability (red) hazard code (0–4 or -)
Instability–reactivity (yellow) hazard code (0–4 or -). Alias: NFPA-R=
Special hazards (white). See {{NFPA 704 diamond}}
Reference for the NFPA fire diamond
Flash point, any text
 Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)



Autoignition point, any text
 Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)



Threshold limit value
Threshold limit value: time-weighted average
Threshold limit value: short-term exposure limit
Threshold limit value: ceiling limit
Lethal dose, 50% (median lethal dose). Specify species and method (oral/dermal/intravenous), e.g., 950mg/kg (rat, oral)
Lowest lethal dose
Lethal concentration, 50% (median lethal concentration)
Lowest lethal concentration
Permissible exposure limit
Recommended exposure limit
Immediately dangerous to life or health value



Link to an external safety data sheet

This parameter list:

All Related input creates a 'see also' list. It is good practice to use article links.

| Section8 = {{Chembox Related
| Related_ref =
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
  }}

{{Chembox Related}} - complete list
 
Ions
Ions

Label text: "Related {{{OtherFunction_label}}}"
Other compounds

Data sheet links, Footer (no parameters)

This parameter list:
- view
- edit

| Section = {{Chembox Supplement
| data page pagename =
}}

{{Chembox Supplement}} - complete list
Set data page name, default is: <PAGENAME> (data page)

This parameter list:
- view
- edit

{{Chembox
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}

{{Chembox Footer}} - (Chembox internal only; parameters entered in main {{Chembox}})
Set '=no' will hide the standard state notice
Allows a general note in the bottom box
Set '=no' will hide the infobox reference notice
 
Bot maintained
Do not edit, add or remove these fields

more on images

This parameter list:

Chembox image ordering ( v e )
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFile2
row 5	ImageFileL2	ImageFileR2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3

{{Chembox
| Name =

<!-- Row 1/7 -->
|ImageFile    = 
|ImageSize    = 
|ImageAlt     = 
|ImageCaption =  
|ImageName    = 

<!-- Row 2/7 -->
|ImageFile1    = 
|ImageSize1    = 
|ImageAlt1     = 
|ImageCaption1 = 
|ImageName1    = 

<!-- Row 3/7 -->
|ImageFileL1    = 
|ImageSizeL1    = 
|ImageAltL1     = 
|ImageCaptionL1 = 
|ImageNameL1    = 

|ImageFileR1    = 
|ImageSizeR1    = 
|ImageAltR1     = 
|ImageCaptionR1 = 
|ImageNameR1    = 

|ImageCaptionLR1= 

<!-- etc. for Image 2, L2 R2, 3, L3 R3 -->

|ImageCaptionAll=

| <!-- ... (more Chembox parameters) -->
}}

indexed identifiers

This list:

index example
Identifiers
Compounds lbl: comment lbl1: comment1 lbl2: comment2 lbl3: comment3 lbl4: comment4 lbl5: comment5

| index_label    = 
| index1_label   =
| index2_label   =
| index3_label   = 
| index4_label   = 
| index5_label   =

| index_comment  =
| index1_comment =
| index2_comment =
| index3_comment =
| index4_comment =
| index5_comment =

CASNo
 
ChEBI
 
ChEMBL
 
ChemSpiderID
 
DrugBank
 
IUPHAR_ligand
 
Jmol
 
KEGG
 
PubChem
 
UNII
 
InChI, InChIKey
 
SMILES
 
DTXSID
 
3DMet
 
EC_number
 
RTECS

{{{CASNo|}}} {{{CASNo1|}}} {{{CASNo2|}}}
   {{{CASNo3|}}} {{{CASNo4|}}} {{{CASNo5|}}}
{{{ChEBI|}}} {{{ChEBI1|}}} {{{ChEBI2|}}}
   {{{ChEBI3|}}} {{{ChEBI4|}}} {{{ChEBI5|}}}
{{{ChEMBL|}}} {{{ChEMBL1|}}} {{{ChEMBL2|}}}
   {{{ChEMBL3|}}} {{{ChEMBL4|}}} {{{ChEMBL5|}}}
{{{ChemSpiderID|}}} {{{ChemSpiderID1|}}} {{{ChemSpiderID2|}}}
   {{{ChemSpiderID3|}}} {{{ChemSpiderID4|}}} {{{ChemSpiderID5|}}}
{{{DrugBank|}}} {{{DrugBank1|}}} {{{DrugBank2|}}}
   {{{DrugBank3|}}} {{{DrugBank4|}}} {{{DrugBank5|}}}
{{{IUPHAR_ligand|}}} {{{IUPHAR_ligand1|}}} {{{IUPHAR_ligand2|}}}
   {{{IUPHAR_ligand3|}}} {{{IUPHAR_ligand4|}}} {{{IUPHAR_ligand5|}}}
{{{Jmol|}}} {{{Jmol1|}}} {{{Jmol2|}}}
   {{{Jmol3|}}} {{{Jmol4|}}} {{{Jmol5|}}}
{{{KEGG|}}} {{{KEGG1|}}} {{{KEGG2|}}}
   {{{KEGG3|}}} {{{KEGG4|}}} {{{KEGG5|}}}
{{{PubChem|}}} {{{PubChem1|}}} {{{PubChem2|}}}
   {{{PubChem3|}}} {{{PubChem4|}}} {{{PubChem5|}}}
{{{UNII|}}} {{{UNII1|}}} {{{UNII2|}}} {{{UNII3|}}}
   {{{UNII4|}}} {{{UNII5|}}}
{{{InChI|}}}{{{InIKey|}}} {{{InChI1|}}}{{{InIKey1|}}} {{{InChI2|}}}{{{InChIKey2|}}}
   {{{InChI3|}}}{{{InChIKey3|}}} {{{InChI4|}}}{{{InChIKey4|}}} {{{InChI5|}}}{{{InChIKey5|}}}
{{{SMILES|}}} {{{SMILES1|}}} {{{SMILES2|}}}
   {{{SMILES3|}}} {{{SMILES4|}}} {{{SMILES5|}}}
{{{DTXSID|}}} {{{DTXSID1|}}} {{{DTXSID2|}}}
   {{{DTXSID3|}}} {{{DTXSID4|}}} {{{DTXSID5|}}}
{{{3DMet|}}} {{{3DMet1|}}} {{{3DMet2|}}}
   {{{3DMet3|}}} {{{3DMet4|}}} {{{3DMet5|}}}
{{{EC_number|}}} {{{EC_number1|}}} {{{EC_number2|}}}
   {{{EC_number3|}}} {{{EC_number4|}}} {{{EC_number5|}}}
{{{RTECS|}}} {{{RTECS1|}}} {{{RTECS2|}}}
   {{{RTECS3|}}} {{{RTECS4|}}} {{{RTECS5|}}}

more on temperatures

This parameter list:

Four or less parameters are needed to present temperature data:

`\|MeltingPt=Decomposes when >` `\|MeltingPtC=50` `\|MeltingPt_ref=<ref>[www.example.com]</ref>` `\|MeltingPt_notes=My notes<ref>[www.chemspider.com]</ref>`	`Decomposes when >_50 °C (122 °F; 323 K)^[1]_My notes^[2]`
The options for conversion: `\|MeltingPtC=50` `\|MeltingPtF=50` `\|MeltingPtK=50` Temperature range: `\|MeltingPtC=50 to 70` `\|MeltingPtF=50 to 70` `\|MeltingPtK=50 to 70`	50 °C (122 °F; 323 K) 10 °C; 50 °F; 283 K −223.2 °C; −369.7 °F; 50.0 K 50 to 70 °C (122 to 158 °F; 323 to 343 K) 10 to 21 °C; 50 to 70 °F; 283 to 294 K −223.2 to −203.2 °C; −369.7 to −333.7 °F; 50.0 to 70.0 K

| Section = {{Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =

| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
  }}

  {{Chembox Properties}} - all temperature parameters
Any text for melting point value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

Any text for boiling point value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

| Section = {{Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =

| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
  }}

  {{Chembox Hazards}} - all temperature parameters
Any text for Flash point value.
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

Any text for autoignition temperature value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

deprecations

This parameter list:

{{Chembox}}: Reference, preferred use Chembox_ref -- more specific (into Chembox header)

Dipole in {{Chembox Properties}}
Dipole in {{Chembox Structure}}

{{Chembox Dipole}} -reused

Incomplete list

ATC and Drugbank: Parameters |ATC= and |Drugbank= can appear in only one section each:

in |Section1 = {{Chembox Identifiers |Drugbank = ...}}

in |Section2 = {{Chembox Pharamacology |ATCCode = ...}}

Hazards: RPhrases (see {{GHS phrases}}) deprecated & abandoned ca. Dec2021

Hazards: SPhrases (see {{GHS phrases}})

Hazards: RSPhrases

Hazards: Hazard data page (never documented, unused 2021-12)

§ Replacement R-, S-phrases, EUclass with GHS: completed

Preferred alternative parameters

Names: PIN_hidden, IUPACName_hidden (not used)

Identifiers: EC-number → EC_number
Identifiers: EINECS deprecated, can be used, same as EC_number
Identifiers: CASNos → CASNoOther

All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs

PubChem_Ref not used
EINECSCASNO removed

Explosive: ExplosiveV → DetonationV

Pharma: ATCCode → split over ATCCode_prefix ATCCode_suffix (3 + 4 characters)
Pharma: PregCat → Pregnancy_category
Pharma: PregCat_AU, PregCat_US → Pregnancy_category_AU, Pregnancy_category_US
Pharma: legal_XX → Legal_XX uppercase L

Hazards: ExternalMSDS → ExternalSDS
Hazards: NSFA_Ref → NSFA_ref
Hazards: EUIndex removed from template
Hazards: NFPA-O → NFPA-S (NFPA-704 Special, not Other)
Thermodynamics: DeltaHf → DeltaHForm
Thermodynamics: DeltaGf → DeltaGfree
Thermodynamics: DeltaHc → DeltaHCombust

Properties: MassRound → MolarMassRound (into regular name pattern)
Properties: ExactMass not available in templatediscussed 2012

Related function: OtherFunctn use OtherFunction
Related function: Function use OtherFunction_label
Related function: OtherCpds use OtherCompounds

Parameters deprecated earlier: Section, Section10, ImageStyleN

Hazards: EUIndex (unkown history)
Hazards: EUHazardSymbol (unkown history)

WP:CHEMVALID: CheMoBot

verification and the {{cascite}} template set

This page:

By {{Chembox}} and {{Infobox drug}} settings, a CheMoBot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article.

A template like {{cascite}} is added and set by CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized for maintenance.

For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See

v t e WP:CHEMVALID: Bot-set templates in {{Chembox}} and {{Drugbox}}
template	Verified fields (parameter)	Category 'changed'	default source	{{Chembox}} conforms	{{Drugbox}} conforms	Monthly report

{{cascite}}	`\|CASNo=` `\|CAS_number=`	changed CAS number	CAS			usage
{{ebicite}}	`\|ChEBI=`, `\|ChEMBL=`	changed EBI identifier	EBI			usage
{{chemspidercite}}	`\|ChemSpiderID=`	changed ChemSpider identifier	ChemSpider			usage
{{drugbankcite}}	`\|DrugBank=`	changed DrugBank identifier	DrugBank			usage
{{keggcite}}	`\|KEGG=`	changed KEGG identifier	KEGG			usage
{{stdinchicite}}	`\|StdInChI=`, `\|StdInChIKey=`, `\|InChIKey=`, `\|InChI=`	changed InChI identifier	ChemSpider			usage
{{fdacite}}	`\|UNII=`	changed FDA identifier	FDA			usage
{{chemboximage}}	`\|ImageFile[L/R]=`	changed Chembox image file	(none)		—	usage
{{drugboximage}}	not existing, not used		(none)	—

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Revision as of 14:26, 1 July 2021 (view source) wikipedia>Fayenatic london (update category link)	Revision as of 16:35, 20 May 2022 (view source) alpha>Sarika (Created page with "{{#if:{{{HeatCapacity\|}}}{{{Entropy\|}}}{{{DeltaHf\|}}}{{{DeltaHform\|}}}{{{DeltaGf\|}}}{{{DeltaGfree\|}}}{{{DeltaHc\|}}}{{{DeltaHcombust\|}}}{{{HHV\|}}}{{{LHV\|}}}{{{DeltaHfus\|}}}{{{D...") Newer edit →
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Template:Chembox Thermochemistry: Difference between revisions

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