9H-Purine
- Formula: C5H4N4
- Molecular weight: 120.1121
- IUPAC Standard InChI: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
- IUPAC Standard InChIKey: KDCGOANMDULRCW-UHFFFAOYSA-N
- CAS Registry Number: 120-73-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 7H-Purine; 1H-Purine; Purine; β-Purine; Isopurine; 3,5,7-Triazaindole; 6H-Imidazo[4,5-d]pyrimidine; Imidazo(4,5-d)pyrimidine; NSC 753; X 128; 7H-Imidazo(4,5-d)pyrimidine
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | Ccb | Zaheeruddin and Lodhi, 1991 | uncertain value: 2238.05 kJ/mol; ALS | ||
| ΔfH°solid | 169.4 ± 2.7 | kJ/mol | Ccr | Kirklin and Domalski, 1984 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | Ccb | Zaheeruddin and Lodhi, 1991 | uncertain value: -4777.28 kJ/mol; ALS | ||
| ΔcH°solid | -2708.6 ± 2.3 | kJ/mol | Ccr | Kirklin and Domalski, 1984 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 106.9 | 298.15 | Kirklin and Domalski, 1984 | DH |
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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 1474. | Yamaji, Kimura, et al., 1978 | Gas Chrom Q; Column length: 1. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1505. | 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 |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zaheeruddin and Lodhi, 1991
Zaheeruddin, M.; Lodhi, Z.H.,
Enthalpies of formation of some cyclic compounds,
Phys. Chem. (Peshawar Pak.), 1991, 10, 111-118. [all data]
Kirklin and Domalski, 1984
Kirklin, D.R.; Domalski, E.S.,
Enthalpy of combustion of purine,
J. Chem. Thermodyn., 1984, 16, 633-641. [all data]
Yamaji, Kimura, et al., 1978
Yamaji, A.; Kimura, S.; Kawasaki, H.; Yuki, H.,
Gas chromatographic analysis of pyrimidine and purine bases by retention indices,
Yakugaku Zasshi, 1978, 98, 1, 1536-1541. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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