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Pyrimidine, 4-phenyl-

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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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap16.4 ± 0.60kcal/molCGCLipkind, Hanshaw, et al., 2009 

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference
4.49334.1DSCLipkind, Hanshaw, et al., 2009

Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.65PEBarone, Cauletti, et al., 1984LBLHLM
9.42PEBarone, Cauletti, et al., 1984Vertical value; LBLHLM

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-7110
NIST MS number 236135

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UV/Visible spectrum

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

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 Vanderhaegte and Claesen, 1957
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. 12701
Instrument n.i.g.

Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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
CapillaryHP Ultra-11432.King, Poortman-van der Meer, et al., 199612. m/0.22 mm/0.25 «mu»m, Helium, 10. K/min, 280. C @ 10. min; Tstart: 100. C

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Lipkind, Hanshaw, et al., 2009
Lipkind, Dmitri; Hanshaw, William; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds, J. Chem. Eng. Data, 2009, 54, 10, 2930-2943, https://doi.org/10.1021/je900034d . [all data]

Barone, Cauletti, et al., 1984
Barone, V.; Cauletti, C.; Commisso, L.; Lelj, F.; Piancastelli, M.N.; Russo, N., Quantum-mechanical and ultraviolet photoelectron spectroscopic studies of azabiphenyls. The case of 4-phenylpyridine, J. Chem. Res. Synop., 1984, 338. [all data]

Vanderhaegte and Claesen, 1957
Vanderhaegte, H.; Claesen, M., Bull. soc. chim. Belges, 1957, 66, 276. [all data]

King, Poortman-van der Meer, et al., 1996
King, L.A.; Poortman-van der Meer, A.J.; Huizer, H., 1-Phenylethylamines: a new series of illicit drugs?, Forensic Sci. International, 1996, 77, 3, 141-149, https://doi.org/10.1016/0379-0738(95)01852-2 . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References