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

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes

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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