1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-2,2,4,4,6,6-hexahydro-
- Formula: Cl6N3P3
- Molecular weight: 347.659
- IUPAC Standard InChI: InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
- IUPAC Standard InChIKey: UBIJTWDKTYCPMQ-UHFFFAOYSA-N
- CAS Registry Number: 940-71-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cyclophosphazene dichloride trimer; Cyclophosphonitrilic chloride trimer; Hexachloro-1,3,5,2,4,6-triazatriphosphorine; Hexachlorocyclophosphazatriene; Hexachlorocyclotriphosphazatriene; Hexachlorocyclotriphosphazene; Hexachlorotriphosphonitrile; Phosphonitrile chloride, cyclic trimer; Phosphonitrilic chloride cyclic trimer; Phosphonitrilic chloride trimer; Phosphononitrilic chloride trimer; Triphosphonitrile chloride; Triphosphonitrilic chloride; 2,2,4,4,6,6-Hexachlorocyclotriphosphazatriene; 1,3,5,2,4,6-Triazatriphosphorine, hexachloro-; 2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexachloro-; Hexachlorotriphosphazene; NSC 209799; NSC 2667; 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine
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Phase change data
Go To: Top, Gas phase ion energetics 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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 5.62 | 388.6 | AC,DC | Lebedev, Kulagina, et al., 1999 |
Gas phase ion energetics data
Go To: Top, Phase change 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.05 ± 0.03 | EI | Clare and Sowerby, 1981 | LLK |
| 10.3 ± 0.1 | EI | Coxon, Palmer, et al., 1969 | RDSH |
| 10.26 ± 0.05 | EI | Brion, Oldfield, et al., 1966 | RDSH |
| 10.43 | PE | Noodleman, Westwood, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Cl4N3P3+ | 11.78 | Cl2 | EI | Clare and Sowerby, 1981 | LLK |
| Cl5N3P3+ | 11.43 | Cl | EI | Clare and Sowerby, 1981 | LLK |
| P3N3Cl5+ | 11.1 ± 0.1 | Cl | EI | Coxon, Palmer, et al., 1969 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedev, Kulagina, et al., 1999
Lebedev, B.V.; Kulagina, T.G.; Tur, D.R.,
Thermodynamics of hexachlorocyclotriphosphazene and octachlorocyclotetraphosphazene fromT→ 0 toT= 450 K,
The Journal of Chemical Thermodynamics, 1999, 31, 6, 697-710, https://doi.org/10.1006/jcht.1998.0472
. [all data]
Clare and Sowerby, 1981
Clare, P.; Sowerby, D.B.,
Electron impact ionisation energies of some halo-cyclotriphosphazenes,
J. Inorg. Nucl. Chem., 1981, 43, 477. [all data]
Coxon, Palmer, et al., 1969
Coxon, G.E.; Palmer, T.F.; Sowerby, D.B.,
Cyclic inorganic compounds. Part VII.The mass spectra of the trimeric chlorobromophosphonitriles,
J. Chem. Soc., 1969, (A), 358. [all data]
Brion, Oldfield, et al., 1966
Brion, C.E.; Oldfield, D.J.; Paddock, N.L.,
Huckel type interactions in phosphonitrilic derivatives,
Chem. Commun., 1966, 226. [all data]
Noodleman, Westwood, et al., 1978
Noodleman, L.; Westwood, N.P.C.; Mitchell, K.A.R.,
Ionization energies and electronic structure of N3P3Cl6 as determined by UV photoelectron and spectroscopy the Xα scattered wave method,
Chem. Phys. Lett., 1978, 58, 252. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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