Substance
- Substance Name: caffeine
- Formula: C8H10N4O2
- Molecular Weight: 194.19 g/mol
- Identifiers:
- casrn: 58-08-2
- pubchemId: 2519
- iupacname: 1,3,7-trimethylpurine-2,6-dione
- inchi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
- csmiles: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- ismiles: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- wikidataId: Q60235
- chemspiderId: 2424
- dsstoxcmpId: DTXCID40232
- chemblId: CHEMBL113
- ecnumber: 200-362-1
caffeine
Systems and Datasets
- caffeine (Datasets: 28)
- Dataset 3 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 4 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1016/j.tca.2012.09.024 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 4 in paper 10.1016/j.tca.2012.09.024 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 1 in paper 10.1016/j.tca.2017.12.015 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.tca.2017.12.015 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 3 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 4 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 5 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 6 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1016/j.tca.2019.05.008 (Dataseries: 1, Datapoints: 30, Quantity: Vapor pressure)
- Dataset 1 in paper 10.1016/j.fluid.2017.09.021 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.fluid.2017.09.021 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 1 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 4 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 1 in paper 10.1016/j.jct.2006.05.009 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1016/j.jct.2006.05.009 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1016/j.jct.2006.05.009 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 4 in paper 10.1016/j.jct.2006.05.009 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 5 in paper 10.1016/j.jct.2006.05.009 (Dataseries: 1, Datapoints: 116, Quantity: Molar heat capacity at constant pressure)
- Dataset 1 in paper 10.1016/j.jct.2008.07.002 (Dataseries: 1, Datapoints: 12, Quantity: Vapor pressure)
- Dataset 2 in paper 10.1016/j.jct.2008.07.002 (Dataseries: 1, Datapoints: 4, Quantity: Vapor pressure)
- Dataset 3 in paper 10.1016/j.jct.2011.12.005 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 4 in paper 10.1016/j.jct.2011.12.005 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 5 in paper 10.1016/j.jct.2011.12.005 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 6 in paper 10.1016/j.jct.2011.12.005 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- caffeine + water (Datasets: 8)
- Dataset 7 in paper 10.1021/acs.jced.6b00273 (Dataseries: 4, Datapoints: 32, Quantity: Mass density)
- Dataset 8 in paper 10.1021/acs.jced.6b00273 (Dataseries: 4, Datapoints: 32, Quantity: Dynamic viscosity)
- Dataset 19 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Dataset 9 in paper 10.1021/acs.jced.7b00520 (Dataseries: 4, Datapoints: 32, Quantity: Mass density)
- Dataset 10 in paper 10.1021/acs.jced.7b00520 (Dataseries: 4, Datapoints: 32, Quantity: Dynamic viscosity)
- Dataset 7 in paper 10.1021/acs.jced.9b00327 (Dataseries: 5, Datapoints: 30, Quantity: Mass density)
- Dataset 8 in paper 10.1021/acs.jced.9b00327 (Dataseries: 5, Datapoints: 30, Quantity: Speed of sound)
- Dataset 5 in paper 10.1016/j.fluid.2017.09.021 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- caffeine + methanol (Datasets: 1)
- Dataset 21 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- caffeine + 1-propanol (Datasets: 1)
- Dataset 22 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- caffeine + ethyl acetate (Datasets: 1)
- Dataset 23 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- caffeine + acetone (Datasets: 1)
- Dataset 24 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- caffeine + sodium chloride + water (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.6b00273 (Dataseries: 4, Datapoints: 212, Quantity: Mass density)
- Dataset 2 in paper 10.1021/acs.jced.6b00273 (Dataseries: 4, Datapoints: 212, Quantity: Dynamic viscosity)
- caffeine + ethanol (Datasets: 1)
- Dataset 20 in paper 10.1021/acs.jced.7b00065 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- caffeine + magnesium chloride + water (Datasets: 2)
- Dataset 3 in paper 10.1021/acs.jced.7b00520 (Dataseries: 4, Datapoints: 216, Quantity: Mass density)
- Dataset 4 in paper 10.1021/acs.jced.7b00520 (Dataseries: 4, Datapoints: 216, Quantity: Dynamic viscosity)
- caffeine + carbon dioxide (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b00388 (Dataseries: 1, Datapoints: 3, Quantity: Mass ratio of solute to solvent)
- 4-aminobutanoic acid + caffeine + water (Datasets: 2)
- Dataset 3 in paper 10.1021/acs.jced.9b00327 (Dataseries: 6, Datapoints: 258, Quantity: Mass density)
- Dataset 4 in paper 10.1021/acs.jced.9b00327 (Dataseries: 6, Datapoints: 260, Quantity: Speed of sound)
- caffeine + N-acetyl-p-aminophenol (Datasets: 3)
- Dataset 9 in paper 10.1016/j.tca.2012.09.024 (Dataseries: 1, Datapoints: 1, Quantity: Eutectic temperature)
- Dataset 10 in paper 10.1016/j.tca.2012.09.024 (Dataseries: 1, Datapoints: 9, Quantity: Solid-liquid equilibrium temperature)
- Dataset 11 in paper 10.1016/j.tca.2012.09.024 (Dataseries: 1, Datapoints: 3, Quantity: Solid-liquid equilibrium temperature)
- 2-acetoxybenzoic acid + caffeine (Datasets: 3)
- Dataset 9 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 1, Quantity: Eutectic temperature)
- Dataset 10 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 7, Quantity: Solid-liquid equilibrium temperature)
- Dataset 11 in paper 10.1016/j.tca.2019.02.007 (Dataseries: 1, Datapoints: 11, Quantity: Solid-liquid equilibrium temperature)
- caffeine + ethanol + trichloromethane (Datasets: 2)
- Dataset 5 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of solution)
- Dataset 6 in paper 10.1016/j.jct.2006.04.008 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of solution)
- caffeine + water + thorium tetranitrate (Datasets: 2)
- Dataset 3 in paper 10.1016/j.jct.2009.09.010 (Dataseries: 3, Datapoints: 72, Quantity: Dynamic viscosity)
- Dataset 4 in paper 10.1016/j.jct.2009.09.010 (Dataseries: 3, Datapoints: 72, Quantity: Mass density)
- caffeine + (S)-(-)-ethyl lactate + water (Datasets: 1)
- Dataset 12 in paper 10.1016/j.jct.2011.12.005 (Dataseries: 2, Datapoints: 9, Quantity: Mole fraction)
- caffeine + water + L-leucine methyl ester bis(trifluoromethylsulfonyl)imide (Datasets: 1)
- Dataset 50 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- L-leucine ethyl ester bis(trifluoromethylsulfonyl)imide + caffeine + water (Datasets: 1)
- Dataset 51 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- glycine benzyl ester bis(trifluoromethylsulfonyl)imide + caffeine + water (Datasets: 1)
- Dataset 52 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- L-phenylglycine methyl ester bis(trifluoromethylsulfonyl)imide + caffeine + water (Datasets: 1)
- Dataset 53 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- caffeine + water + methyl L-phenylalaninate, comp. with bis(trifluoromethylsulfonyl)imide (Datasets: 1)
- Dataset 54 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- caffeine + water + L-phenylalanine ethyl ester bis(trifluoromethylsulfonyl)imide (Datasets: 1)
- Dataset 55 in paper 10.1016/j.jct.2013.02.011 (Dataseries: 1, Datapoints: 1, Quantity: Amount concentration)
- caffeine + 1-butyl-3-methylimidazolium trifluoromethanesulfonate (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2013.10.036 (Dataseries: 1, Datapoints: 4, Quantity: Solid-liquid equilibrium temperature)
- caffeine + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2013.10.036 (Dataseries: 1, Datapoints: 5, Quantity: Solid-liquid equilibrium temperature)