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Template:Chembox CalcTemperatures

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Values for Melting point, Boiling point (properties) and Flash point, Autoignition temperature (hazards) can convert temperatures into the set of °C, °F and K. They also can produce a temperature range, like 10 to 20 °C (50 to 68 °F; 283 to 293 K). Also, unformatted texts can be entered.

Usage

This parameter list:
  • view
  • edit

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)
 

See also

  • v
  • t
  • e
Chembox
  • {{Chembox}} (talk)
  • All parameters listed
  • Recently added parameters
  • Same data in Chembox and Drugbox
Chembox
This parameter list:
  • view
  • edit
{{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:
  • view
  • edit
|Section1={{Chembox Identifiers
| Identifiers_ref =
<!-- indexlabeling-->
| 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
ChemSpider ID verified? If yes, type: {{chemspidercite}}
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
 StdInChI Key comment
------
InChI
 InChI comment
Other InChI
InChI Key
 InChI Key comment
Other InChI Key
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment
Other UNII

------DTXSID (CompTox; U.S. EPA)

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










------
Abbreviations
Beilstein reference
Gmelin ID
UN number
MeSH heading, links to https://www.nlm.nih.gov/mesh/
Properties
This parameter list:
  • view
  • edit
| 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 = 
| 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}}}]]
 CMC
 HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
Conjugate acid
Conjugate base
IsoelectricPt
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize
 
Structure
Complete list
This parameter list:
  • view
  • edit
| 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:
  • view
  • edit
| 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>
Deprecated parameters
  • DeltaHf → use DeltaHform
  • DeltaGf → use DeltaGfree
  • DeltaHc → use DeltaHcombust
Explosive
This parameter list:
  • view
  • edit
| 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:
  • view
  • edit
| 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:
  • view
  • edit

| 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 GHS pictogram by name (Category:GHS templates), |GHSPictograms={{GHS01}}{{GHS07}} GHS Signal Word ("Danger", "Warning") GHS Hazard statements, use {{H-phrases}} GHS Precautionary statements {{P-phrases}}



NFPA 704: Health, blue. Health hazard code (0–4 or -) Flammability by , red. See {{NFPA 704 diamond}} documentation Instability (reactivity), yellow. Instability hazard code (0–4 or -). "NFPA-R=" is also allowed Special hazards, white. Other hazard codes (like W, OX, RA, -. See list) 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 Time Exposure Limit Threshold Limit Value Ceiling Lethal Dose in 50% (median lethal dose) specify species and whether oral / dermal / intravenous; eg, 950mg/kg (rat, oral) Lethal Dose Low Lethal Concentration in 50%, or median lethal concentration

Permissible exposure limit Recommended exposure limit Immediately dangerous to life or health 'dose'  

Link to an external Safety data sheet (SDS)
Related
This parameter list:
  • view
  • edit

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
| style-left-column-width =
| 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 lefthand text column width (default is 40%; see also 'width=' option in {{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:
  • view
  • edit
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:
  • view
  • edit
Template:Chembox ChemSpiderIDTemplate:Chembox E number
index example
Identifiers
  • Compounds
  • lbl: comment
  • lbl1: comment1
  • lbl2: comment2
  • lbl3: comment3
  • lbl4: comment4
  • lbl5: comment5
ECHA InfoCard Lua error in Module:Wikidata at line 880: attempt to index field 'wikibase' (a nil value). Lua error in Module:Wikidata at line 880: attempt to index field 'wikibase' (a nil value).Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).
CompTox Dashboard (EPA)
  • lbl: {{#property:P3117}}Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).
Chemical compoundTemplate:SHORTDESC:Chemical compound
| 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
 
3DMet
 
EC_number
 
DTXSID
 
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:
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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:
  • view
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  • {{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 checkY/☒N verification and the {{cascite}} template set
This page:
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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 checkY checkY usage
{{ebicite}} |ChEBI=, |ChEMBL= changed EBI identifier EBI checkY checkY usage
{{chemspidercite}} |ChemSpiderID= changed ChemSpider identifier ChemSpider checkY checkY usage
{{drugbankcite}} |DrugBank= changed DrugBank identifier DrugBank checkY checkY usage
{{keggcite}} |KEGG= changed KEGG identifier KEGG checkY checkY usage
{{stdinchicite}} |StdInChI=, |StdInChIKey=,
|InChIKey=, |InChI=
changed InChI identifier ChemSpider checkY checkY usage
{{fdacite}} |UNII= changed FDA identifier FDA checkY checkY usage
{{chemboximage}} |ImageFile[L/R]= changed Chembox image file (none) Red XN N/A usage
{{drugboximage}} not existing, not used (none) N/A Red XN
See also: {{Cascite}} documentation
  • Chembox templates
  • Tracking categories
  • Documentation pages
  • testcases
The above documentation is transcluded from Template:Chembox CalcTemperatures/doc. (edit | history)
Editors can experiment in this template's sandbox (create | mirror) and testcases (create) pages.
Add categories to the /doc subpage. Subpages of this template.
Retrieved from "https://moasspedia.org/w/index.php?title=Template:Chembox_CalcTemperatures&oldid=7913"
Categories:
  • Pages with script errors
  • Templates with short description
  • Chembox templates
Last edited on 6 February 2015, at 08:28

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