Hexane, 1,6-diisocyanato-

• Formula: C₈H₁₂N₂O₂
• Molecular weight: 168.1931
• IUPAC Standard InChI: InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 Copy

  
• IUPAC Standard InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N Copy
• CAS Registry Number: 822-06-0
• 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.
• Species with the same structure:
  • Hexane, 1,6-diisocyanato-
• Other names: Isocyanic acid, hexamethylene ester; Hexamethylene diisocyanate; Hexane 1,6-diisocyanate; 1,6-Diisocyanatohexane; 1,6-Hexamethylene diisocyanate; 1,6-Hexylene diisocyanate; Hexamethylene 1,6-diisocyanate; HMDI; Isocyanic acid, diester with 1,6-hexanediol; Metyleno-bis-fenyloizocyjanian; Szesciometylenodwuizocyjanian; TL 78; HDI; NSC 11687
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 by: 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

Entropy of fusion

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

Gas Phase Spectrum

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Additional Data

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

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.

Lebedev, Bykova, et al., 1985
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Pankratov, V.A.; Frenkel, Ts.M.; Korshak, V.V., A calorimetric study of 1,6-hexamethylene diisocyanate, its polycyclotrimerization and the resulting polycyclotrimer in the 13.8-370 K region, Vysokomol. Soedin., 1985, A27, 1411-1416. [all data]

Bykova and Lebedev, 1983
Bykova, T.A.; Lebedev, B.V., Thermodynamics of 1,6-hexamethylene diisocyanate at 0-330 K, Fiz.-khim. Osnovy Sinteza i Pererab. Polimerov, 1983, 39-41. [all data]

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]

Lebedev, Bykova, et al., 1985, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Ye.G.; Pankratov, V.A.; Frenkel, Ts.M.; Korshak, V.V., A calorimetric study of 1,6-hexamethylene diisocyanate,, Vysokomol. Soedin., Ser. A, 1985, 27, 1411-6. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  S°liquid	Entropy of liquid at standard conditions
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion

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