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ChemicalData
✖
ChemicalData

For general access to the Wolfram Knowledgebase, use entities of type Chemical instead of ChemicalData.

✖
ChemicalData["name","property"]

gives the value of the specified property for the chemical "name".

✖
ChemicalData["name"]

gives a structure diagram for the chemical with the specified name.

✖
ChemicalData["class"]

gives a list of available chemicals in the specified class.

Details

  • Chemicals can be specified by their common names such as "Water" or "AceticAcid", registry numbers such as "CID962" or "CAS7732-18-5", IUPAC-like names such as "2Methylpropane", or structure strings.
  • ChemicalData[] gives a list of all available chemicals.
  • ChemicalData["Properties"] gives a list of all properties available for chemicals.
  • Properties that do not apply or are not known in a particular case are indicated by Missing[…].
  • Numerical values that are known only to a certain precision are typically tagged with their precision, and given in arbitrary-precision form.
  • Fundamental properties include:
  • "ColorStructureDiagram"2D bond connectivity diagram
    "FormattedName"common name in formatted form
    "Formula"molecular formula in display form
    "FormulaString"molecular formula as a string
    "HillFormula"compound formula in Hill order for display
    "HillFormulaString"compound formula in Hill order as a string
    "IUPACName"IUPAC name
    "Memberships"entity classes containing chemical
    "MolarMass"molar mass in grams per mole
    "Name"common English name
  • Basic physical properties include:
  • "BoilingPoint"boiling temperature
    "Density"density
    "DielectricConstant"dielectric constant
    "DipoleMoment"dipole moment
    "ElectronAffinity"electron affinity
    "LightSpeed"speed of light within chemical
    "MeanFreePath"mean free path assuming Maxwell-Boltzmann velocity distribution
    "MeltingPoint"melting temperature
    "MolarMass"molar mass in grams per mole
    "MolarVolume"molar volume
    "MolecularMass"molecular mass in atomic mass units
    "OdorThreshold"odor threshold in parts per million
    "OdorType"odor description as a string
    "Phase"naturally occurring phase
    "ProtonAffinity"proton affinity
    "RefractiveIndex"index of refraction
    "Resistivity"resistivity
    "SurfaceTension"surface tension for liquids
    "VaporDensity"density relative to air density
    "VaporPressure"vapor pressure
    "Viscosity"dynamic viscosity
  • Thermal properties include:
  • "CombustionHeat"heat of combustion
    "CriticalPressure"pressure at critical point
    "CriticalTemperature"temperature at critical point
    "FusionHeat"heat of fusion
    "ThermalConductivity"thermal conductivity
    "VanDerWaalsConstants"list of van der Waals , constants
    "VaporizationHeat"heat of vaporization
  • Solution properties in water include:
  • "AcidityConstants"acid dissociation constants
    "HenryLawConstant"Henry's Law constant
    "HildebrandSolubility"Hildebrand solubility parameter constant
    "LogAcidityConstants"acid dissociation constants in negative log units
    "pH"measure of acidity/alkalinity
    "Solubility"solubility mass fraction in water
  • If not otherwise specified, physical properties are given for standard temperature and pressure.
  • Molecular visualization properties include:
  • "BlackStructureDiagram"2D structure diagram with black coloring
    "CHBlackStructureDiagram"2D structure diagram with black coloring and explicit hydrogens and carbons
    "CHColorStructureDiagram"2D structure diagram with explicit hydrogens and carbons
    "ColorStructureDiagram"2D bond connectivity diagram
    "MoleculePlot"3D molecular structure plot
    "SpaceFillingMoleculePlot"3D space-filling molecular structure plot
  • Molecular structure properties include:
  • "AdjacencyMatrix"bond connectivity adjacency matrix
    "AtomPositions"list of 3D coordinates of atoms in picometers
    "BondEnergies"list of bond energies by type
    "BondTally"tally of types of bonds
    "EdgeRules"list of graph edge rules for bonds
    "EdgeTypes"list of bond types for graph edges
    "ElementTally"tally of chemical elements
    "ElementTypes"list of chemical elements present
    "FormalCharges"list of formal charges for atoms
    "InChI"InChI structure string
    "IsomericSMILES"isomeric SMILES structure string
    "NetCharge"net charge
    "NonStandardIsotopeNumbers"list of non-standard isotope mass numbers present
    "NonStandardIsotopeTally"tally of non-standard isotopes present
    "SMILES"canonical SMILES structure string
    "StructureGraph"bond connectivity graph
    "VertexCoordinates"list of 2D relative coordinates of graph vertices
    "VertexTypes"list of atom types at graph vertices
  • Properties calculated from structure include:
  • "ElementMassFraction"elemental composition by mass fraction
    "HBondAcceptorCount"hydrogen bond acceptor count
    "HBondDonorCount"hydrogen bond donor count
    "NonHydrogenCount"non-hydrogen atom count
    "NonStandardIsotopeCount"number of non-standard-isotope atoms
    "PartitionCoefficient"partition coefficient for octanol/water solubility
    "RotatableBondCount"rotatable bond count
    "TautomerCount"tautomer count
    "TopologicalPolarSurfaceArea"topological polar surface area
  • Ionic properties include:
  • "Ions"list of ions present when ionized
    "IonEquivalents"list ion equivalents per molecule
    "IonTally"tally of ion equivalents
  • Identification properties include:
  • "AlternateNames"common chemical synonyms
    "BeilsteinNumber"Beilstein record number string
    "CASNumber"CAS registry number string
    "CIDNumber"PubChem registry number string
    "EGECNumber"EG/EC registry number string
    "EUNumber"EU chemical substance number string
    "GmelinNumber"Gmelin registry number string
    "IUPACName"IUPAC name
    "MDLNumber"MDL registry number string
    "Name"common English name (e.g. "citric acid")
    "NSCNumber"NCI registry number string
    "RTECSNumber"RTECS registry number string
    "StandardName"standard Wolfram Language name (e.g. "CitricAcid")
  • Material safety properties include:
  • "AutoignitionPoint"autoignition temperature
    "DOTHazardClass"DOT hazard class (0.x - 9.x)
    "DOTNumbers"list of DOT (UN) numbers
    "FlashPoint"flash point temperature
    "LowerExplosiveLimit"lower explosive air concentration fraction
    "NFPAFireRating"NFPA flammability (red) rating (0-4)
    "NFPAHazards"list of specific NFPA hazard tags
    "NFPAHealthRating"NFPA health (blue) rating (0-4)
    "NFPALabel"image of NFPA label
    "NFPAReactivityRating"NFPA reactivity (yellow) rating (0-4)
    "RTECSClasses"list of RTECS classes
    "UpperExplosiveLimit"upper explosive air concentration fraction
  • Properties applicable mainly to amino acids include:
  • "Codons"list of nucleotide triplets
    "IsoelectricPoint"isoelectric point
    "SideChainLogAcidityConstant"side-chain acidity constant
  • Region-related properties include:
  • "BoundaryMeshRegion"boundary mesh representation
    "MeshRegion"mesh representation
    "Region"geometric region
  • ChemicalData["name","property","ann"] gives various annotations associated with a property. Typical annotations include:
  • "Description"short textual description of the property
    "Interval"uncertainty range given by Interval[…]
    "LongDescription"longer textual description of the property
    "Note"additional information about the property
    "Units"units in which the value is given
    "Conditions"conditions under which the property was measured
    "UnitsName"English name for the units used
    "UnitsNotation"notation for the units used
    "UnitsStandardName"Wolfram Language standard name for the units used
    "Value"property value (default if no annotation is specified)
  • ChemicalData[{"name","Compound"}] gives a list of available chemicals that contain the element with the specified name.

Examples

open allclose all

Basic Examples  (4)Summary of the most common use cases

The basic structure diagram for caffeine:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-jekkbl
Out[1]=1

3D molecular plot for caffeine:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-qd2skk
Out[1]=1

3D space-filling molecular plot for caffeine:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c6u1j1
Out[1]=1

Molar mass of caffeine:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-b1819p
Out[1]=1

Scope  (30)Survey of the scope of standard use cases

Names and Classes  (11)

Obtain a list of chemical names:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-16z6c
Out[1]//Shallow=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-odm5tf
Out[2]=2

Use string expressions to find compounds:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-bt9kx9
Out[1]//Shallow=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-ozu540
Out[2]//Shallow=2

A chemical can be specified by its standard Wolfram Language name, registry ID, or formula:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-ggypz2
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-tmx7fw
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-kht3gr
Out[3]=3
In[4]:=4
✖
https://wolfram.com/xid/0b0kf4sff4i-zlcqfw
Out[4]=4
In[5]:=5
✖
https://wolfram.com/xid/0b0kf4sff4i-yvm1s
Out[5]=5
In[6]:=6
✖
https://wolfram.com/xid/0b0kf4sff4i-evqb1z
Out[6]=6

Obtain a list of alternate standard Wolfram Language names:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-if4ha2
Out[1]=1

Use an alternate name as input:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-udip1a
Out[2]=2

Find the English name of a chemical:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-typed
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-tglnye
Out[2]=2

Obtain a list of alternate English names:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-34cwhs
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-bc1ypr
Out[2]=2

Find the IUPAC name:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-ihp36z
Out[1]=1

Find the list of chemical classes:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-op5lgo
Out[1]//Shallow=1

Find the list of chemicals belonging to a class:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-dk7q7o
Out[1]//Shallow=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-lz31vd
Out[2]//Shallow=2

Test whether a chemical belongs to a class:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-dehs7q
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-ehkk6
Out[2]=2

A list of strontium compounds:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c511uk
Out[1]=1

Chlorine compounds:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-cslesk
Out[2]//Shallow=2

Structure  (3)

Color structure diagram:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-cd5uxm
Out[1]=1

Get the structure diagram with visible carbon and hydrogen atoms for a molecule:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-2iuizp
Out[2]=2

Plot the three-dimensional structure of two enantiomers:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c94ut1
Out[1]=1

Structure diagram for a more complicated molecule:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-j72i4
Out[1]=1

Three-dimensional structure:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-g3l9pg
Out[2]=2

Identifiers  (4)

Get the common chemical formula:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-nkurl2
Out[1]=1

Hill ordered formula:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-kfpajb
Out[2]=2

Find the SMILES string:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-ltdlht
Out[1]=1

Find the InChI string:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-7onbfg
Out[1]=1

Find constitutional isomers:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-cxx45b
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-8g1l7e
Out[2]=2

Properties  (6)

Find ionized products of a chemical:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c6haej
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-k97vt
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-lvsut2
Out[3]=3

Get the list of isotopically labeled atoms in a chemical:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-dp1sr4
Out[1]=1

View the structure diagram of a heavy molecule:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-bzdkgi
Out[2]=2

Get the list of elements in a chemical:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-52qk81
Out[1]=1

A tally of elements:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-yy84jh
Out[2]=2

Obtain a tally of bond types:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c70hbq
Out[1]=1

Compare with a structure diagram:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-ticx4c
Out[2]=2

Obtain the molecular graph edge rules:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-bfd1y5
Out[1]=1

The bond orders for each edge:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-op3z9f
Out[2]=2

Find the type of atom at each graph vertex:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-lizs1o
Out[3]=3

The formal charges of the atoms:

In[4]:=4
✖
https://wolfram.com/xid/0b0kf4sff4i-h0nauc
Out[4]=4

Find the adjacency matrix:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-rypnc5
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-2n5uux
Out[2]=2

The list of atoms for the matrix:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-jqdykp
Out[3]=3

Properties and Annotations  (4)

Get a list of properties for a particular chemical:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-mrhiq

Get a short textual description of a property:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-00u4f
Out[1]=1

Get a longer textual description:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-khbla
Out[2]=2

The actual value:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-rvw5f
Out[3]=3

Find the units in which a property value is given:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-jj6iqr
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-umku0b
Out[2]=2

Get units in proper textual form:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-uymnnd
Out[3]=3

Get units as notation:

In[4]:=4
✖
https://wolfram.com/xid/0b0kf4sff4i-nybvjo
Out[4]=4

Uncertainty is represented using Interval:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-jcugiz
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-9dwcf
Out[2]=2

Property Values  (2)

A property value can be any valid Wolfram Language expression:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-i086aw
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-kc6f2g
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-g46w3f
Out[3]=3

A property that is not available for a chemical has the value Missing["NotAvailable"]:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-c8hvnz
Out[1]=1

Generalizations & Extensions  (2)Generalized and extended use cases

Specify a chemical registry number using a list form:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-qy9gkt
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-1ye9sx
Out[2]=2

Find compounds containing a specified element using a string:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-ysf0jp
Out[1]=1

Applications  (5)Sample problems that can be solved with this function

Find the distribution of molar mass:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-18cpdc
Out[1]=1

The distribution of boiling points:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-qf9yvm
Out[2]=2

Investigate the structure of acid molecules:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-d4ve3w
Out[1]=1

Explore different molecule isotopes:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-j0vda
Out[1]=1

Systematically explore boiling point versus density for different chemical classes:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-mq8cjc
Out[1]=1

Find stereoisomers for the formula "C5H10":

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-b5eeef
Out[1]=1

Properties & Relations  (7)Properties of the function, and connections to other functions

Use Table to obtain the property values for a list of chemicals:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-jaed4n
Out[1]=1

The same thing using Map:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-i76gck
Out[2]=2

Get values of multiple properties for a list of chemicals:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-34v3hd

Display the data as a formatted table using Grid and Text:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-g9yi02
Out[2]=2

Use DeleteCases to filter out missing data:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-e2ipd9

Alternatively, use Cases with Except to filter out missing data:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-haytph

Use ListPlot to plot a list of property values:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-xhlkxy
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-438xcj
Out[2]=2

Missing data is automatically excluded in plotting functions:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-p4ltcy
Out[3]=3

Use Tooltip to label individual data points:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-be7waw
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-0pufh4
Out[2]=2

Use ElementData to get additional properties of the chemical elements:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-2eqiay
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-5fer2j
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-hq30qa
Out[3]=3

Use IsotopeData to find detailed information about the nuclear isotopes:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-kit11k
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-kzju8t
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-z4zkid
Out[3]=3

Possible Issues  (2)Common pitfalls and unexpected behavior

Using nonstandard chemical and property names will not work:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-1yyoe
Out[1]=1
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-dy0con
Out[2]=2

Use string functions to find the standardized names:

In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-cis31z
Out[3]=3
In[4]:=4
✖
https://wolfram.com/xid/0b0kf4sff4i-7760t
Out[4]=4
In[5]:=5
✖
https://wolfram.com/xid/0b0kf4sff4i-u4075w
Out[5]=5

Arithmetical operations cannot be carried out on Missing entries:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-21ui3i
Out[1]=1

Remove the Missing entries before performing operations:

In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-jcxnrx
Out[2]=2
In[3]:=3
✖
https://wolfram.com/xid/0b0kf4sff4i-bac9wi
Out[3]=3

Neat Examples  (1)Surprising or curious use cases

Find chemical isomers of pyridines in a network based on bond tally matches:

In[1]:=1
✖
https://wolfram.com/xid/0b0kf4sff4i-jd93jj
In[2]:=2
✖
https://wolfram.com/xid/0b0kf4sff4i-nd00ry
Out[2]=2
Wolfram Research (2007), ChemicalData, Wolfram Language function, https://reference.wolfram.com/language/ref/ChemicalData.html (updated 2016).
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Wolfram Research (2007), ChemicalData, Wolfram Language function, https://reference.wolfram.com/language/ref/ChemicalData.html (updated 2016).

Text

Wolfram Research (2007), ChemicalData, Wolfram Language function, https://reference.wolfram.com/language/ref/ChemicalData.html (updated 2016).

✖
Wolfram Research (2007), ChemicalData, Wolfram Language function, https://reference.wolfram.com/language/ref/ChemicalData.html (updated 2016).

CMS

Wolfram Language. 2007. "ChemicalData." Wolfram Language & System Documentation Center. Wolfram Research. Last Modified 2016. https://reference.wolfram.com/language/ref/ChemicalData.html.

✖
Wolfram Language. 2007. "ChemicalData." Wolfram Language & System Documentation Center. Wolfram Research. Last Modified 2016. https://reference.wolfram.com/language/ref/ChemicalData.html.

APA

Wolfram Language. (2007). ChemicalData. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/ChemicalData.html

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Wolfram Language. (2007). ChemicalData. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/ChemicalData.html

BibTeX

@misc{reference.wolfram_2025_chemicaldata, author="Wolfram Research", title="{ChemicalData}", year="2016", howpublished="\url{https://reference.wolfram.com/language/ref/ChemicalData.html}", note=[Accessed: 16-April-2025 ]}

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@misc{reference.wolfram_2025_chemicaldata, author="Wolfram Research", title="{ChemicalData}", year="2016", howpublished="\url{https://reference.wolfram.com/language/ref/ChemicalData.html}", note=[Accessed: 16-April-2025 ]}

BibLaTeX

@online{reference.wolfram_2025_chemicaldata, organization={Wolfram Research}, title={ChemicalData}, year={2016}, url={https://reference.wolfram.com/language/ref/ChemicalData.html}, note=[Accessed: 16-April-2025 ]}

✖
@online{reference.wolfram_2025_chemicaldata, organization={Wolfram Research}, title={ChemicalData}, year={2016}, url={https://reference.wolfram.com/language/ref/ChemicalData.html}, note=[Accessed: 16-April-2025 ]}