Wikidata:WikiProject Chemistry/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]

(see the Template:Chembox (Q52426) View with Reasonator View with SQID for a complete list of chemboxes, that may or may not use the datas)

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
PubChem CID (P662) String * link created w:Template:PubChem, http://www.ncbi.nlm.nih.gov/pccompound
EC ID (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
Beilstein 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 Nonproprietary 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 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


Chemical and physical properties[edit]

property datatype qualifiers constraints progress remark
has part (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 phase of matter (P515) link created
standard molar entropy (P3071) value phase of matter (P515) link created
melting point (P2101) value Max link created Max for temperature interval if necessary
boiling point (P2102) value pressure (P2077) link created
sublimation temperature (P2113) value 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), pressure (P2077), phase of matter (P515) link created
vapor pressure (P2119) value temperature (P2076) link created
kinematic viscosity (P2118) value temperature (P2076), phase of matter (P515) link created
dynamic viscosity (P3070) value temperature (P2076), phase of matter (P515) link created
thermal conductivity (P2068) value temperature (P2076), pressure (P2077), phase of matter (P515) link Created Is it necessary to provide the phase (liquid/solid/gas) ?
electrical conductivity (P2055) value temperature (P2076), pressure (P2077), phase of matter (P515) link created Is it necessary to provide the phase (liquid/solid/gas) ?
Critical point phase point (P873) value temperature (P2076), pressure (P2077) link created We could also have qualifier for critical density or critical volume
Triple point phase point (P873) value temperature (P2076), pressure (P2077), phase of matter (P515) link created
fusion enthalpy (P2066) value temperature (P2076) link created
enthalpy of vaporization (P2116) value temperature (P2076) link created
combustion enthalpy (P2117) value * link created High heating value or low heating value ?
heat capacity (P2056) value temperature (P2076), phase of matter (P515) link created
electric dipole moment (P2201) value * link created
speed of sound (P2075) value temperature (P2076), pressure (P2077), Wavetype (e.g.= longitudinal, transversal, lamb, rayleigh, love, torsion, whatever) link created
solubility (P2177) value solvent (P2178), temperature (P2076) link created
pKa (P1117) value temperature (P2076), concentration link created
phase 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 (P459) link created
flash point (P2128) value determination method (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 code classification (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
GHS hazard statement (obsolete) (P728) string * created
GHS hazard statement (obsolete) (P728) string * created
GHS precautionary statements (obsolete) (P940) string * created
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 (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 (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
IDLH (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
phase of matter (P515) Wikidata item created
determination method (P459) Wikidata item created
temperature (P2076) value created
route of administration (P636) Wikidata item created
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]