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Toluene

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Toluene
Formula: C7 H8 Molecular weight: 92.1384 IUPAC Standard InChI:
I n C h I = 1 S / C 7 H 8 / c 1 7 5 3 2 4 6 7 / h 2 6 H , 1 H 3

Download the identifier in a file. IUPAC Standard InChIKey: Y X F V V A B E G X R O N W U H F F F A O Y S A N CAS Registry Number: 108-88-3 Chemical structure:

This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or 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 link for 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 data Henry's Law data Gas phase ion energetics data Ion clustering data IR Spectrum Mass spectrum (electron ionization) UV/Visible spectrum Gas Chromatography Fluid Properties
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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: Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data) NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data) NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Antoine Equation Parameters

Go To: Top, References, Notes / Error Report Data compilation copyright by 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 Besley and Bottomley, 1974 Gaw and Swinton, 1968 Comment Coefficents calculated by NIST from author's data. Coefficents calculated by NIST from author's data.

273.13 - 297.89 4.23679 1426.448 -45.957 303. - 343. 4.08245 1346.382 -53.508 420.00 - 580.00 4.54436 1738.123

Ambrose, Broderick, Coefficents calculated by NIST 0.394 et al., 1967 from author's data. Williamham, Taylor, et al., 1945 Pitzer and Scott, 1943 Coefficents calculated by NIST from author's data.

308.52 - 384.66 4.07827 1343.943 -53.773 273. - 323. 4.14157 1377.578 -50.507

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References
Go To: Top, Antoine Equation Parameters, Notes / Error Report Data compilation copyright by 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., 1967 Ambrose, 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]
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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

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