Hexane, 1,6-diisocyanato-

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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

Quantity Value Units Method Reference Comment
liquid100.4cal/mol*KN/ALebedev, Bykova, et al., 1985 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
70.27298.15Lebedev, Bykova, et al., 1985T = 5 to 300 K.
70.27298.15Bykova and Lebedev, 1983T = 0 to 330 K.
71.51298.Strepikheev, Baranov, et al., 1962 

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

Quantity Value Units Method Reference Comment
Ttriple206.060KN/ALebedev, Bykova, et al., 1985, 2Uncertainty assigned by TRC = 0.01 K; TRC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.4551206.064Lebedev, Bykova, et al., 1985DH
4.4551206.06Bykova and Lebedev, 1983DH
4.455206.1Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
21.62206.064Lebedev, Bykova, et al., 1985DH
21.62206.06Bykova and Lebedev, 1983DH

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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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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 590
NIST MS number 229048

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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

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