Pyrimidine, 4-phenyl-
- Formula: C10H8N2
- Molecular weight: 156.1839
- IUPAC Standard InChIKey: MKLQPIYLZMLAER-UHFFFAOYSA-N
- CAS Registry Number: 3438-48-0
- 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. - Other names: 4-Phenylpyrimidine
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 16.4 ± 0.60 | kcal/mol | CGC | Lipkind, Hanshaw, et al., 2009 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
4.49 | 334.1 | DSC | Lipkind, Hanshaw, et al., 2009 |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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 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 |
---|---|---|---|
8.65 | PE | Barone, Cauletti, et al., 1984 | LBLHLM |
9.42 | PE | Barone, Cauletti, et al., 1984 | Vertical 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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
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.
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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP Ultra-1 | 1432. | King, Poortman-van der Meer, et al., 1996 | 12. m/0.22 mm/0.25 μm, 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
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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