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1,3-Butadiene, 1,4-diphenyl-, (E,E)-

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

Quantity Value Units Method Reference Comment
Deltacsolid-2025.74 ± 0.48kcal/molCcbCoops, Hoijtink, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -2026. ± 0.2 kcal/mol; Corresponding «DELTA»fsolid = 42.717 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-2022.7 ± 1.6kcal/molCcbCoates and Sutton, 1948Reanalyzed by Cox and Pilcher, 1970, Original value = -2023.0 ± 1.6 kcal/mol; Corresponding «DELTA»fsolid = 39.68 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-2029.90 ± 0.62kcal/molCcbOtt, 1928Corresponding «DELTA»fsolid = 46.88 kcal/mol (simple calculation by NIST; no Washburn corrections)

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

Quantity Value Units Method Reference Comment
Tboil623.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus421.4KN/ABerry, Lipsky, et al., 1956Uncertainty assigned by TRC = 0.7 K; TRC
Tfus423.7KN/ADombrovsky and Terent'ev, 1956Uncertainty assigned by TRC = 2. K; TRC
Tfus425.9KN/ACram and Steinberg, 1951Uncertainty assigned by TRC = 4. K; TRC
Tfus426.4KN/AHofer and Peebles, 1951Uncertainty assigned by TRC = 2. K; TRC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
39.7 ± 1.6293.VCoates and Sutton, 1948Reanalyzed by Cox and Pilcher, 1970, Original value = 22.3 ± 0.5 kcal/mol; ALS

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:


Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + 1,3-Butadiene, 1,4-diphenyl-, (E,E)- = Benzene, 1,1'-(1,4-butanediyl)bis-

By formula: 2H2 + C16H14 = C16H18

Quantity Value Units Method Reference Comment
Deltar-44.04 ± 0.15kcal/molChydWilliams, 1942liquid phase; solvent: Acetic acid; At 302 K

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-2907
NIST MS number 230874

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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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UVVis spectrum
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Additional Data

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Source Timmons, 1966
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19804
Instrument Unicam SP 700
Melting point 149-151

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Coops, Hoijtink, et al., 1953
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C., Thermochemical investigations on arylethenes. II. Heats of combustion of some para and orthotolylethenes and phenylbutadienes, Rec. Trav. Chim. Pays/Bas, 1953, 72, 765. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Coates and Sutton, 1948
Coates, G.E.; Sutton, L.E., The heats of formation of the -N=N- and >C=N- bonds, J. Chem. Soc., 1948, 1187-1196. [all data]

Ott, 1928
Ott, E., Nachtrage zu der Untersuchung uber die Habhydrierung der Acetylen-Binding und die Abhangigkeit der Konfiguration der entstehenden Athylen-Verbin-dungen von der Reaktionsgeschwindigkeit, Ber., 1928, 61, 2119-2123. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Berry, Lipsky, et al., 1956
Berry, P.J.; Lipsky, S.; Burton, M., Radiation-Induced Luminescence Part 2 - The Effect of Oxygen and Bromobenzene, Trans. Faraday Soc., 1956, 52, 311. [all data]

Dombrovsky and Terent'ev, 1956
Dombrovsky, A.V.; Terent'ev, A.P., Haloarylation of Undaturated Compounds with Aromatic Diazo Compounds I. Reaction of Phenyldiazonium Chloride and Bromidw with 1,3-Butadiene and Some Transformations of 4-Chloro-1-phenyl-2-butene, Zh. Obshch. Khim., 1956, 26, 2776-82. [all data]

Cram and Steinberg, 1951
Cram, D.J.; Steinberg, H., J. Am. Chem. Soc., 1951, 73, 5691. [all data]

Hofer and Peebles, 1951
Hofer, L.J.; Peebles, W.C., X-Ray Diffraction Patterns of Solid Aromatic Hydrocarbons, Anal. Chem., 1951, 23, 690. [all data]

Williams, 1942
Williams, R.B., Heats of catalytic hydrogenation in solution. I. Apparatus, technique, and the heats of hydrogenation of certain pairs of stereoisomers, J. Am. Chem. Soc., 1942, 64, 1395-1404. [all data]

Timmons, 1966
Timmons, C.J., UV atlas of organic compaunds, 1966, 2, D10/36. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References