![]() ChemicalData gives various annotations associated with a property.Properties applicable mainly to amino acids include: Liquids boil when their vapor pressure is equal to the pressure exerted on the liquid by its surroundings.Upper explosive air concentration fraction Lower explosive air concentration fraction Partition coefficient for octanol/water solubilityĬommon English name (e.g. Properties calculated from structure include: 45-1086006 CAS: 58-08-2 Description: Caffeine Melting Point Standard (1 g) (Approximately 236 degrees) Molecular weight: 194.08038 Formula: C8H10N4O.List of 2D relative coordinates of graph vertices List of non-standard isotope mass numbers present List of 3D coordinates of atoms in picometers Solubility Caffeine is slightly soluble in water, with a solubility of about 2 g/L at room temperature. The boiling point of caffeine is 178 C, which is below the temperature at which it decomposes. Molecular structure properties include: It has a density of 1.23 g/cm3, and its melting point is in the range of 235 to 238 C for the anhydrous form.Molecular visualization properties include:ĢD structure diagram with black coloring and explicit hydrogens and carbonsĢD structure diagram with explicit hydrogens and carbonsģD space-filling molecular structure plot.If not otherwise specified, physical properties are given for standard temperature and pressure.Mean free path assuming Maxwell-Boltzmann velocity distributionĪcid dissociation constants in negative log units Numerical values that are known only to a certain precision are typically tagged with their precision, and given in arbitrary-precision form.Ĭompound formula in Hill order for displayĬompound formula in Hill order as a string. ![]() Properties that do not apply or are not known in a particular case are indicated by Missing. In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products: SRD 103a Thermo Data Engine (TDE) for pure compounds.ChemicalData gives a list of all properties available for chemicals. The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of caffeine molecule.ChemicalData gives a list of all available chemicals. Properties of CaffeineChemical FormulaC8H10N4O2Density1. ![]()
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