Wikidata:WikiProject Chemistry/Properties
(Redirected from Wikidata:Chemistry task force/Properties)
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Rules of this page:
- Feel free to add new property for discussion in the tables. Set the "progress" column to
{{Int proposal}}(use the template for proper translation). - Please use the talk page to discuss about properties creation or use. If you want to discuss about one property, create a new section on the talk page and set the "progress" column to '
{{Int discussion}}(use the template also here) and link the property in the table with the section. If you want to start the proposal process you can direct the link to the Chemistry section of the Natural science proposal page.
General properties for chemical (substances + elements)
[edit]Application of data
[edit]- en:Template:Chembox
- en:Template:Infobox drug
- de:Vorlage:Infobox Chemikalie
- fr:modèle:Infobox Chimie
- pt:Predefinição:Info/Química
(see the Template:Chembox (Q52426) 
for a complete list of chemboxes, that may or may not use the datas)
Overview
[edit]Up-to-date list of properties about chemical
[edit]SELECT ?prop ?propLabel WHERE {
?prop wdt:P31 wd:Q21294996.
SERVICE wikibase:label { bd:serviceParam wikibase:language "[AUTO_LANGUAGE],en". }
}
SELECT ?prop ?propLabel WHERE {
?prop wdt:P31 wd:Q19833835.
SERVICE wikibase:label { bd:serviceParam wikibase:language "[AUTO_LANGUAGE],en". }
}
identifiers
[edit]| property | datatype | qualifiers | constraints | progress | remark |
|---|---|---|---|---|---|
| other names | Multilingual text (not available yet) | * | - | not done | Use aliases |
| w:IUPAC name | Multilingual text (not available yet) | * | pending | ||
| E number (P628) | String | Approved in (country) | link | created | |
| CAS Registry Number (P231) | String | * | link | created | http://commonchemistry.org/ |
| UNII (P652) | String | * | link | created | FDA Substance Registration System - Unique Ingredient Identifier |
| INCI name (P4951) | String | * | link | created | INCI name |
| PubChem CID (P662) | String | * | link | created | w:Template:PubChem, http://www.ncbi.nlm.nih.gov/pccompound |
| EC number (P232) | String | * | link | created | EC Inventory - ECHA |
| DrugBank ID (P715) | String | * | link | created | w:Template:DrugBank, http://www.drugbank.ca/drugs/ |
| ZVG number (P679) | String | * | link | created | w:Template:GESTIS |
| ChemSpider ID (P661) | String | * | link | created | http://www.chemspider.com/ |
| ATC code (P267) | String | * | link | created | w:Template:ATC |
| RTECS number (P657) | String | * | link | created | http://www.cdc.gov/niosh/npg/npgdrtec.html |
| ChEBI ID (P683) | String | * | link | created | http://www.ebi.ac.uk/chebi/ |
| ChEMBL ID (P592) | String | * | link | created | https://www.ebi.ac.uk/chembl/ |
| canonical SMILES (P233) | String | * | link | created | w:Template:SMILES |
| isomeric SMILES (P2017) | String | * | link | created | w:Template:SMILES |
| InChI (P234) | String | * | link | created | |
| InChIKey (P235) | String | * | link | created | |
| StdInChI | String | * | - | not done | See discussion |
| StdInChIKey | String | * | - | not done | |
| Appearence | Multilingual text (not available yet) | * | not initialized | ||
| chemical formula (P274) | String | * | link | created | See discussion |
| w:Hill formula | String | * | - | not done | See discussion |
| chemical structure (P117) | Commons media file | * | link | created | Picture of chemical structure on Commons |
| Reaxys registry number (P1579) | String | * | link | created | Identifier in the Beilstein database |
| Gmelin number (P1578) | String | * | link | created | Identifier in the Gmelin database |
| World Health Organisation international non-proprietary name (P2275) | String | * | link | created | Word Health Organisation International Nonproprietary Name |
| NIOSH Pocket Guide ID (P1931) | String | * | link | created | Identifier for a chemical in the NIOSH Pocket Guide to Chemical Hazards |
| HSDB ID (P2062) | String | * | link | created | Identifier for a chemical in the Hazardous Substances Data Bank |
| CDB Chemical ID (P2072) | String | * | link | created | Identifier for a chemical in the UCI Database |
| ECHA Substance Infocard ID (P2566) | String | * | link | created | Identifier for a chemical compound used by the European Chemicals Agency |
| 3DMet ID (P2796) | String | * | link | created | |
| CosIng number (P3073) | String | * | link | created | |
| Colour Index International constitution ID (P2027) | String | * | link | created | |
| DSSTox substance ID (P3117) | String | * | link | created |
Chemical and physical properties
[edit]| property | datatype | qualifiers | constraints | progress | remark |
|---|---|---|---|---|---|
| has part(s) (P527) | Item | * | created | Still missing is a qualifier to define the number of atoms | |
| Molar mass | value | * | * | not done | Use of chemical formula to calculate molar mass ? |
| standard enthalpy of formation (P3078) | value | state of matter (P515) | link | created | |
| standard molar entropy (P3071) | value | state of matter (P515) | link | created | |
| melting point (P2101) | value | Max | link | created | Max for temperature interval if necessary |
| boiling point (P2102) | value | under pressure (P2077) | link | created | |
| sublimation temperature (P2113) | value | under pressure (P2077), remark | link | created | |
| decomposition point (P2107) | value | * | link | created | Decomposition is usually indicated in m.p. or b.p. records (as is proposed here, see above). However, it is not necessarily coincided with these values. Decomposition may take place without phase transition, e.g. in gas phase; an observed "boiling point" may be just decomposition into volatile product(s) without reaching the real b.p. of a substance; the phase of a decomposing substance may not be known. Thus, instead of adding unprecise remarks to the m.p./b.p.'s (which are reasonable only in printed material, to save place), an additional field assigned exclusively for this value would be advantageous. |
| density (P2054) | value | temperature (P2076), under pressure (P2077), state of matter (P515) | link | created | |
| vapor pressure (P2119) | value | temperature (P2076) | link | created | |
| kinematic viscosity (P2118) | value | temperature (P2076), state of matter (P515) | link | created | |
| dynamic viscosity (P3070) | value | temperature (P2076), state of matter (P515) | link | created | |
| thermal conductivity (P2068) | value | temperature (P2076), under pressure (P2077), state of matter (P515) | link | Created | Is it necessary to provide the phase (liquid/solid/gas) ? |
| electrical conductivity (P2055) | value | temperature (P2076), under pressure (P2077), state of matter (P515) | link | created | Is it necessary to provide the phase (liquid/solid/gas) ? |
| Critical point phase point (P873) | value | temperature (P2076), under pressure (P2077) | link | created | We could also have qualifier for critical density or critical volume |
| Triple point phase point (P873) | value | temperature (P2076), under pressure (P2077), state of matter (P515) | link | created | |
| molar fusion enthalpy (P2066) | value | temperature (P2076) | link | created | |
| molar enthalpy of vaporization (P2116) | value | temperature (P2076) | link | created | |
| combustion enthalpy (P2117) | value | * | link | created | High heating value or low heating value ? |
| specific heat capacity (P2056) | value | temperature (P2076), state of matter (P515) | link | created | |
| electric dipole moment (P2201) | value | * | link | created | |
| speed of sound (P2075) | value | temperature (P2076), under pressure (P2077), Wavetype (e.g.= longitudinal, transversal, lamb, rayleigh, love, torsion, whatever) | link | created | |
| solubility (P2177) | value | solvent (P2178), temperature (P2076) | link | created | Add pressure as property for gases? |
| pKa (P1117) | value | temperature (P2076), concentration | link | created | |
| state of matter (P515) | value | temperature (P2076), wavelength, polarization | link | created | |
| Composition | ? | Min, max, remark | not initialized | This property will facilitate known compositional data for complex objects. In some cases data may be variable, so minimum and maximum values are desirable when such data is available. Example items include consumables, such as cheddar cheese with 721 mg calcium per 100 g, and for which the USDA's National Nutrient Database for Standard Reference contains 8,194 public domain datasets that could easily be gathered by a bot. — C M B J 04:46, 18 April 2013 (UTC) | |
| partition coefficient water/octanol (P2993) | value | temperature (P2076) | link | created | |
| surface tension (P3013) | value | temperature (P2076) | link | created |
Safety parameters
[edit]| property | datatype | qualifiers | constraints | progress | remark |
|---|---|---|---|---|---|
| autoignition temperature (P2199) | value | determination method or standard (P459) | link | created | |
| flash point (P2128) | value | determination method or standard (P459) | link | created | |
| lower flammable limit (P2202) | value | * | link | created | ... |
| upper flammable limit (P2203) | value | * | link | created | |
| UN number (P695) | value | * | created | ||
| Kemler code (P700) | value | * | created | ||
| UN class (P874) | value | * | created | ||
| UN transport pictogram | value | * | not done | ||
| UN classification code (P875) | value | * | created | ||
| UN packaging group (P876) | value | * | created | ||
| GHS hazard pictograms | value | * | not done | ||
| GHS signal word (P1033) | Item | * | created | Possibilities: Danger, Warning, Nothing | |
| NFPA Health (P993) | value | * | created | ||
| NFPA Fire (P994) | value | * | created | ||
| NFPA Instability (P995) | value | * | created | ||
| NFPA Special (P877) | value | * | created | ||
| SIMDUT label | value | not done | SIMDUT agency will shift to GHS | ||
| LogP | value | discussion | |||
| minimal lethal dose (P2300) | value | applies to taxon (P2352), route of administration (P636) | link | created | |
| median lethal dose (LD50) (P2240) | value | applies to taxon (P2352), route of administration (P636) | link | created | |
| minimal lethal concentration (P2710) | value | applies to taxon (P2352), duration (P2047) | link | created | |
| median lethal concentration (LC50) (P2712) | value | applies to taxon (P2352), duration (P2047) | link | created | |
| TCLo | value | applies to taxon (P2352), duration (P2047) | discussion | ||
| TC50 | value | applies to taxon (P2352), duration (P2047) | discussion | ||
| acceptable daily intake (P2542) | value | * | link | created | mg (substance) per kg (body weight) per day |
| no-observed-adverse-effect level (P2717) | value | applies to taxon (P2352), route of administration (P636), duration (P2047) | link | created | |
| lowest-observed-adverse-effect level (P2718) | value | applies to taxon (P2352), route of administration (P636), duration (P2047) | link | created | |
| time-weighted average exposure limit (P2404) | value | link | created | ||
| ceiling exposure limit (P2405) | value | link | created | ||
| maximum peak exposure limit (P2406) | value | link | created | ||
| short-term exposure limit (P2407) | value | link | created | ||
| immediately dangerous to life or health (P2129) | value | created | |||
| global warming potential (P2565) | value | link | created |
Crystallography
[edit]| property | datatype | Qualifier1 | Qualifier2 | FR | EN | DE | Creation level | description |
|---|---|---|---|---|---|---|---|---|
| crystal system (P556) | Item | * | * | X | * | * | created | 7 possibilities: cubic crystal system (Q473227), hexagonal crystal system (Q663314), trigonal crystal system (Q588274), tetragonal crystal system (Q503601), orthorhombic crystal system (Q648961), monoclinic crystal system (Q624543), triclinic crystal system (Q376927) |
| point group (P589) | Item | created | 32 possibilities | |||||
| space group (P690) | Item | * | * | X | * | * | created | 230 possibilities: 14 of which are Bravais lattices |
| Lattice parameter a | value | * | * | X | * | * | proposal | Or use qualifier to define the parameter instead of creating one property for each parameter ? |
| Lattice parameter b | value | * | * | X | * | * | proposal | |
| Lattice parameter c | value | * | * | X | * | * | proposal | |
| Lattice parameter α | value | * | * | X | * | * | proposal | |
| Lattice parameter β | value | * | * | X | * | * | proposal | |
| Lattice parameter γ | value | * | * | X | * | * | proposal | |
| Theoretical density | value | * | * | X | * | * | proposal | |
| Volume | value | * | * | X | * | * | proposal | |
| Parameter Z | value | * | * | X | * | * | proposal | |
| crystal habit (P565) | Item | * | * | * | * | * | created | e.g. aspirin = needle-like |
| ... | * | * | * | * | * | * | proposal |
Qualifier
[edit]| Qualifier | datatype | progress | remark |
|---|---|---|---|
| state of matter (P515) | Wikidata item | created | |
| determination method or standard (P459) | Wikidata item | created | |
| temperature (P2076) | value | created | |
| route of administration (P636) | Wikidata item | created | |
| under pressure (P2077) | value | created | |
| applies to taxon (P2352) | Wikidata item | created | |
| Duration | value | discussion |
Specific properties for chemical elements
[edit]Application of data
[edit]list of properties
[edit]| property | datatype | Qualifier1 | Qualifier2 | FR | EN | DE | progress | description |
|---|---|---|---|---|---|---|---|---|
| atomic number (P1086) | value | * | * | X | X | X | created | |
| аtomic weight | value | * | * | X | X | X | proposal | |
| element symbol (P246) | string | * | * | ? | ? | ? | created | |
| Electron configuration | String | * | * | ? | ? | ? | proposal | |
| electronegativity (P1108) | value | * | * | ? | ? | ? | created | |
| Radioactive element | * | * | * | ? | ? | ? | discussion | |
| Periodic table group | value | * | * | ? | ? | ? | proposal | |
| Periodic table period | value | * | * | ? | ? | ? | proposal | |
| Periodic table block | Monolingual text | * | * | ? | ? | ? | proposal | |
| Periodic classification | Item | * | * | ? | ? | ? | proposal | metal, non-metal, halogen, noble gas |
| ionization energy (P2260) | value | series ordinal (P1545) | * | ? | ? | ? | created | |
| oxidation state (P1121) | value | created |
List of general properties useful for chemical topics
[edit]- Properties for references, see Help:Sources
- Other properties: discoverer or inventor (P61), named after (P138)