Pyrimidine, 4-methyl-
- Formula: C5H6N2
- Molecular weight: 94.1145
- IUPAC Standard InChI: InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
- IUPAC Standard InChIKey: LVILGAOSPDLNRM-UHFFFAOYSA-N
- CAS Registry Number: 3438-46-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4-Methylpyrimidine
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 415.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 10.6 ± 0.57 | kcal/mol | CGC | Lipkind and Chickos, 2009 | Based on data from 342. to 373. K.; AC |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 110. | 827. | Golovnya, Kuz'menko, et al., 2000 | He; Phase thickness: 0.4 μm |
| Capillary | OV-101 | 110. | 827. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 819. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 853. | Lu, Hao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 3C/min => 209C => 20C/min => 280C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1328. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Lipkind and Chickos, 2009
Lipkind, Dmitri; Chickos, James S.,
An examination of the vaporization enthalpies and vapor pressures of pyrazine, pyrimidine, pyridazine, and 1,3,5-triazine,
Struct Chem, 2009, 20, 1, 49-58, https://doi.org/10.1007/s11224-008-9389-5
. [all data]
Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I.,
The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681
. [all data]
Zhuravleva, 2000
Zhuravleva, I.L.,
Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Lu, Hao, et al., 2005
Lu, C.-Y.; Hao, Z.; Payne, R.; Ho, C.-T.,
Effects of water content on volatile generation and peptide degradation in the Maillard reaction of glycine, diglycine, and triglycine,
J. Agric. Food Chem., 2005, 53, 16, 6443-6447, https://doi.org/10.1021/jf050534p
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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