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Toluene
Formula:C7H
8Molecular weight:92.1384
IUPACStandard InChI:
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Download the identifier in a file.
IUPACStandard InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
CAS Registry Number:108-88-3
Chemical structure:
This structure is also available as a 2d Mol fileor as a computed3d SD file
The 3d structure may be viewed using Javaor Javascript.
Isotopologues:
Toluene-D3
Toluene-D8
Other names:Benzene, methyl; Methacide; Methylbenzene; Methylbenzol; Phenylmethane; Antisal
1a; Toluol; Methane, phenyl-; NCI-C07272; Tolueen; Toluen; Toluolo; Rcra waste number U220;
Tolu-sol; UN 1294; Dracyl; Monomethyl benzene; CP 25; NSC 406333; methylbenzene (toluene)Permanent linkfor this species. Use this link for bookmarking this species for future reference.
Information on this page:
Antoine Equation Parameters
References
Notes / Error Report
Other data available:
Gas phase thermochemistry data
Condensed phase thermochemistry data
Phase change data
Reaction thermochemistry dataHenry's Law data
Gas phase ion energetics data
Ion clustering data
IR Spectrum
Mass spectrum (electron ionization)
UV/Visible spectrum
Gas Chromatography
Fluid Properties
http://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=200#Mass-Spechttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=8#Thermo-Reacthttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=8#Thermo-Reacthttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=8#Thermo-Reacthttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=4#Thermo-Phasehttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=2#Thermo-Condensedhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C2037265http://webbook.nist.gov/cgi/cbook.cgi?ID=C1124181http://webbook.nist.gov/cgi/cbook.cgi?GetInChI=C108883http://goldbook.iupac.org/R05271.htmlhttp://goldbook.iupac.org/E02063.htmlhttp://www.nist.gov/http://www.nist.gov/mml/http://www.nist.gov/http://www.nist.gov/mml/http://webbook.nist.gov/cgi/fluid.cgi?ID=C108883&Action=Pagehttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=2000#Gas-Chromhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=400#UV-Vis-Spechttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=200#Mass-Spechttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=80#IR-Spechttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=40#Ion-Clusterhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=20#Ion-Energeticshttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=10#Solubilityhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=8#Thermo-Reacthttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=4#Thermo-Phasehttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=2#Thermo-Condensedhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Mask=1#Thermo-Gashttp://webbook.nist.gov/cgi/inchi/InChI%3D1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H%2C1H3http://webbook.nist.gov/cgi/cbook.cgi?ID=C2037265http://webbook.nist.gov/cgi/cbook.cgi?ID=C1124181http://webbook.nist.gov/cgi/cbook.cgi?Str3View=C108883&Type=JSmolhttp://webbook.nist.gov/cgi/cbook.cgi?Str3View=C108883&Type=Jmolhttp://webbook.nist.gov/cgi/cbook.cgi?Str3File=C108883http://webbook.nist.gov/chemistry/3d-structs/http://webbook.nist.gov/cgi/cbook.cgi?Str2File=C108883http://www.inchi-trust.org/http://webbook.nist.gov/cgi/cbook.cgi?GetInChI=C108883http://goldbook.iupac.org/R05271.htmlhttp://goldbook.iupac.org/E02063.htmlhttp://webbook.nist.gov/chemistry/http://srdata.nist.gov/gateway/http://www.nist.gov/srd/http://www.nist.gov/mml/http://www.nist.gov/8/14/2019 Toluene.pdf
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Data at other public NIST sites:
Microwave spectra (on physics lab web site)
Computational Chemistry Comparison and Benchmark Database
Gas Phase Kinetics Database
X-ray Photoelectron Spectroscopy Database, version 4.1
Options:
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Data at NIST subscription sites:
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Antoine Equation Parameters
Go To:Top, References,Notes / Error Report
Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
log10(P) = A (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
Temperature
(K)A B C Reference Comment
273.13 - 297.89 4.23679 1426.448 -45.957Besley and
Bottomley, 1974
Coefficents calculated by NIST
from author's data.
303. - 343. 4.08245 1346.382 -53.508Gaw and Swinton,
1968
Coefficents calculated by NIST
from author's data.
420.00 - 580.00 4.54436 1738.123 0.394
Ambrose, Broderick,
et al., 1967Coefficents calculated by NIST
from author's data.
308.52 - 384.66 4.07827 1343.943 -53.773Williamham, Taylor,
et al., 1945
273. - 323. 4.14157 1377.578 -50.507Pitzer and Scott,
1943
Coefficents calculated by NIST
from author's data.
http://www.nist.gov/srd/http://wtt-pro.nist.gov/wtt-pro/index.html?cmp=toluenehttp://wtt-lite.nist.gov/wtt-lite/index.html?cmp=toluenehttp://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Units=CAL&Type=ANTOINE&Plot=onhttp://srdata.nist.gov/xps/query_chem_name_detail.aspx?ID_NO=2470http://kinetics.nist.gov/kinetics/rpSearch?cas=108883http://cccbdb.nist.gov/alldata2.asp?casno=108883http://physics.nist.gov/cgi-bin/MolSpec/mole.pl?prefix=hydro&molecule=C7H8&cas=108-88-3&type=fancy&clear=18/14/2019 Toluene.pdf
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References
Go To:Top, Antoine Equation Parameters,Notes / Error Report
Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Besley and Bottomley, 1974
Besley, L.M.; Bottomley, G.A., Vapour Pressure of Toluene from 273.15 to 298.15 K, J. Chem.
Thermodyn., 1974, 6, 577-580. [all data]
Gaw and Swinton, 1968
Gaw, W.J.; Swinton, F.L., Thermodynamic Properties of Binary Systems Containing
Hexafluorobenzene. Part 3. Excess Gibbs Free Energy of the System Hexafluorobenzene +
Cyclohexane, Trans. Faraday Soc., 1968, 64, 637-647. [all data]
Ambrose, Broderick, et al., 1967Ambrose, D.; Broderick, B.E.; Townsend, R., The Vapour Pressures Above the Normal Boiling Point
and the Critical Pressures of Some Aromatic Hydrocarbons, J. Chem. Soc. A:, 1967, 633-641. [all
data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of
Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl.
Bur. Stand. (U.S.), 1945, 35, 219-244. [all data]
http://webbook.nist.gov/cgi/cbook.cgi?Source=1945WIL%2FTAY219-244http://webbook.nist.gov/cgi/cbook.cgi?Author=Rossini%2C+F.D.http://webbook.nist.gov/cgi/cbook.cgi?Author=Pignocco%2C+J.M.http://webbook.nist.gov/cgi/cbook.cgi?Author=Taylor%2C+W.J.http://webbook.nist.gov/cgi/cbook.cgi?Author=Williamham%2C+C.B.http://webbook.nist.gov/cgi/cbook.cgi?Source=1967AMB%2FBRO633-641http://webbook.nist.gov/cgi/cbook.cgi?Author=Townsend%2C+R.http://webbook.nist.gov/cgi/cbook.cgi?Author=Broderick%2C+B.E.http://webbook.nist.gov/cgi/cbook.cgi?Author=Ambrose%2C+D.http://webbook.nist.gov/cgi/cbook.cgi?Source=1968GAW%2FSWI637-647http://webbook.nist.gov/cgi/cbook.cgi?Author=Swinton%2C+F.L.http://webbook.nist.gov/cgi/cbook.cgi?Author=Gaw%2C+W.J.http://webbook.nist.gov/cgi/cbook.cgi?Source=1974BES%2FBOT577-580http://webbook.nist.gov/cgi/cbook.cgi?Author=Bottomley%2C+G.A.http://webbook.nist.gov/cgi/cbook.cgi?Author=Besley%2C+L.M.8/14/2019 Toluene.pdf
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Pitzer and Scott, 1943
Pitzer, K.S.; Scott, D.W., The thermodynamics and molecular structure of benzene and its methyl
derivatives, J. Am. Chem. Soc., 1943, 65, 803-829. [all data]
Notes / Error Report
Go To:Top, Antoine Equation Parameters, References
Data from NIST Standard Reference Database 69:NIST Chemistry WebBook
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