Benzene, 2,4-diisocyanato-1-methyl-

• Formula: C₉H₆N₂O₂
• Molecular weight: 174.1561
• IUPAC Standard InChI: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 Copy

  
• IUPAC Standard InChIKey: DVKJHBMWWAPEIU-UHFFFAOYSA-N Copy
• CAS Registry Number: 584-84-9
• 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.
• Other names: 2,4-Diisocyanato-1-methylbenzene; 2,4-Diisocyanatotoluene; Isocyanic acid, 4-methyl-m-phenylene ester; 4-Methyl-m-phenylene diisocyanate; 4-Methyl-m-phenylene isocyanate; 2,4-TDI; 2,4-Toluene diisocyanate; 2,4-Tolylene diisocyanate; Tolylene-2,4-diisocyanate; Toluylene-2,4-diisocyanate; 4-Methyl-1,3-phenylene diisocyanate; Di-iso-cyanatoluene; Di-isocyanate de toluylene; Diisocyanat-toluol; NCI-C50533; Tolueen-diisocyanaat; Toluen-disocianato; Toluilenodwuizocyjanian; Tuluylendiisocyanat; TDI; Cresorcinol diisocyanate; Desmodur T80; Hylene T; Hylene tcpa; Hylene tlc; Hylene tm; Hylene tm-65; Hylene trf; Mondur TD; Mondur TD-80; Mondur tds; Rcra waste number U223; Rubinate tdi 80/20; TDI-80; Tolyene 2,4-diisocyanate; Nacconate 100; NSC 4791; Toluene 2,4-diisocyanate
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% IN CCl4 FOR 3800-1333 AND 10% IN CS2 FOR 1333-400 CM^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Strepikheev, Baranov, et al., 1962
Strepikheev, Yu.A.; Baranov, Yu.I.; Burmistrova, O.A., Determination of the heats of combustion and the heat capacities of several mono- and di-isocyanates, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1962, 5, 387-390. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Frensdorff and Adams, 1975
Frensdorff, H.K.; Adams, R.K., Vapor pressure of 2,4-tolylene diisocyanate, J. Chem. Eng. Data, 1975, 20, 1, 13-15, https://doi.org/10.1021/je60064a003 . [all data]

Strepikheev, Novikova, et al., 1972
Strepikheev, Yu.A.; Novikova, O.P.; Chimishkyan, A.L., Khim. Prom. (Moscow), 1972, 48, 3, 230. [all data]

Fihtengolts, et al., 1969
Fihtengolts, V.S., et al., Atlas of UV Absorption Spectra of Substances Used in Synthetic Rubber Manufacture, 1969, 18. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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