Dodecahydrotripyrrolo[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine
- Formula: C12H21N3
- Molecular weight: 207.3152
- IUPAC Standard InChI: InChI=1S/C12H21N3/c1-4-10-13(7-1)11-5-2-9-15(11)12-6-3-8-14(10)12/h10-12H,1-9H2
- IUPAC Standard InChIKey: POPXVWAQMYBXLI-UHFFFAOYSA-N
- CAS Registry Number: 5981-17-9
- Chemical structure:
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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
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Individual Reactions
3 +
= 3
By formula: 3H2 + C12H21N3 = 3C4H9N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -105. ± 0.4 | kJ/mol | Chyd | Wiberg, Nakaji, et al., 1993 | liquid phase; solvent: Acetic acid |
3 =
By formula: 3C4H7N = C12H21N3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -208. ± 2. | kJ/mol | Eqk | Wiberg, Nakaji, et al., 1993 | liquid phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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: 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 |
|---|---|---|---|
| 7.8 | PE | Beck, Hunig, et al., 1986 | |
| 8.2 | PE | Beck, Hunig, et al., 1986 | Vertical value |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Nakaji, et al., 1993
Wiberg, K.B.; Nakaji, D.Y.; Morgan, K.M.,
Heat of hydrogenation of a cis imine. An experimental and theoretical study,
J. Am. Chem. Soc., 1993, 115, 3527-3532. [all data]
Beck, Hunig, et al., 1986
Beck, K.; Hunig, S.; Poppek, R.; Prokschy, F.; Rademacher, P.,
Photoelektronenspektroscopische untersuchungen an hexahydro-1,3,5-triazinen,
Chem. Ber., 1986, 119, 554. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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