2,4-Hexadiyne

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Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas90.20kcal/molCcbLuk'yanova, Pimenova, et al., 1992 

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil402. to 403.KN/AFarchan Laboratories, 1990BS
Tboil402.7KN/AWeast and Grasselli, 1989BS
Tboil403.KN/APrevost, 1926Uncertainty assigned by TRC = 3. K; not clear whether this compound or 1,3-hexadiyne; TRC
Quantity Value Units Method Reference Comment
Tfus337.KN/APauling, Springall, et al., 1939Uncertainty assigned by TRC = 2. K; TRC
Tfus338.KN/APrevost, 1926Uncertainty assigned by TRC = 3. K; not clear whether this compound or 1,3-hexadiyne; TRC
Quantity Value Units Method Reference Comment
Ttriple337.84KN/AMeyer and Meyer, 1986Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Δvap10.1kcal/molELuk'yanova, Pimenova, et al., 1992ALS
Δvap10.2kcal/molEBMeyer and Meyer, 1986, 2Based on data from 364. to 408. K.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
11. ± 0.5307.MMBatley, Mraw, et al., 1982Based on data from 282. to 333. K.; AC

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.2382117.9crystaline, IIcrystaline, IBatley, Mraw, et al., 1982DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.01117.9crystaline, IIcrystaline, IBatley, Mraw, et al., 1982DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 392

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Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101891.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone831.Zenkevich, 1998Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Luk'yanova, Pimenova, et al., 1992
Luk'yanova, V.A.; Pimenova, S.M.; Timofeeva, L.P.; Kozina, M.P.; Kolesov, V.P.; Tarakanova, A.V., Standard enthalpies of formation of some derivatives of diacetylene, Russ. J. Phys. Chem. (Engl. Transl.), 1992, 66, 1083-1085. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Prevost, 1926
Prevost, C., The Catalytic Dehydrogenation of Vinylalcoylcarbinols, C. R. Hebd. Seances Acad. Sci., 1926, 183, 853. [all data]

Pauling, Springall, et al., 1939
Pauling, L.; Springall, H.D.; Palmer, K.J., The Electron Diffraction Investigation of Methylacetylene, Dimethyl- acetylene, Dimethyldiacetylene, Methyl Cyanide, Diacetylene and Cyanogen cyanogen, J. Am. Chem. Soc., 1939, 61, 927-8. [all data]

Meyer and Meyer, 1986
Meyer, E.F.; Meyer, J.J., Vapor Pressure of 2,4-Hexadiyne: Solid(0-21 deg C) and Liquid (91-135 deg C), J. Chem. Eng. Data, 1986, 31, 273. [all data]

Meyer and Meyer, 1986, 2
Meyer, Edwin F.; Meyer, John J., Vapor pressure of 2,4-hexadiyne: solid (0-21.degree.C) and liquid (91-135.degree.C), J. Chem. Eng. Data, 1986, 31, 3, 273-274, https://doi.org/10.1021/je00045a004 . [all data]

Batley, Mraw, et al., 1982
Batley, M.; Mraw, S.; Staveley, L.A.K.; Overs, A.H.; Owen, M.C.; Thomas, R.K.; White, J.W., The structure and dynamics of crystalline 2,4-hexadiyne. I. Crystal structure, thermodynamics, and model calculations, Mol. Phys., 1982, 45(5), 1015-1034. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, 1998
Zenkevich, I.G., Non-Traditional Criteria for Gas-Chromatographic and Chromato-Mass-Spectrometric Identification of Organic Compounds, Zh. Anal. Khim., 1998, 53, 8, 828-835. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References