1,3,5-Triphenyl-s-triazine-2,4,6(1H,3H,5H)-trione
- Formula: C21H15N3O3
- Molecular weight: 357.3621
- IUPAC Standard InChI: InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H
- IUPAC Standard InChIKey: YEACGXMAEGBJSM-UHFFFAOYSA-N
- CAS Registry Number: 1785-02-0
- 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: s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-; Phenyl isocyanate trimer; Phenyl isocyanurate; Triphenyl isocyanurate; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-; 1,3,5-Triphenyl-1,3,5-perhydro-triazine-2,4,6-trione; 1,3,5-Triphenyl-perhydro-1,3,5-triazine-2,4,6-trione; 1,3,5-Triphenyl-s-triazine-2,4,6-trione; 1,3,5-Triphenyl-1,3,5-triazine-2,4,6-trione; Phenyl isocyanate cyclic trimer; 1,3,5-Triphenyl-2,4,6-triazinetrione; s-Triazine-2,4,6(1H,3H,5H)-trione, triphenyl-; 1,3,5-Triphenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; Triazintrione, 1,3,5-triphenyl-; 1,3,5-Triphenyl isocyanurate; N,N',N''-Triphenyl isocyanurate; NSC 105886; NSC 82068
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -82.2 ± 0.7 | kcal/mol | Cm | Bykova, Lebedev, et al., 1985 | Different experiment |
| ΔfH°solid | -82.2 ± 0.7 | kcal/mol | Ccb | Lebedev, Rabinovich, et al., 1977 | Different experiment |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2405.1 ± 0.7 | kcal/mol | Ccb | Lebedev, Rabinovich, et al., 1977 | Different experiment |
Reaction thermochemistry data
Go To: Top, Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
3 =
By formula: 3C7H5NO = C21H15N3O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.4 ± 0.69 | kcal/mol | Cm | Bonetskaya, Kravchenko, et al., 1985 | liquid phase; solvent: Diglyme; Trimerization |
| ΔrH° | 19.3 | kcal/mol | Cm | Bykova, Lebedev, et al., 1985 | liquid phase; Different experiment |
= 3
By formula: C21H15N3O3 = 3C7H5NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -19.3 | kcal/mol | Cm | Bykova, Lebedev, et al., 1985 | solid phase; Different experiment |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bykova, Lebedev, et al., 1985
Bykova, T.A.; Lebedev, B.V.; Kiparisova, E.G.; Tarasov, E.N.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshank, V.V.,
Thermodynamics of phenyl isocyanate, the process of its cyclotrimerization, and the triphenyl isocyanurate that is formed, in the 0-330°K interval,
J. Gen. Chem. USSR, 1985, 55, 2303-2308. [all data]
Lebedev, Rabinovich, et al., 1977
Lebedev, B.V.; Rabinovich, I.B.; Kiparisova, E.G.; Evstropov, A.A.; Korshak, V.V.; Pankratov, V.A.; Larina, L.F.,
Thermodynamics of the polycyclotrimerization of aromatic dicyanates and diisocyanates,
Dokl. Phys. Chem. (Engl. Transl.), 1977, 237, 1081-1084, In original 383. [all data]
Bonetskaya, Kravchenko, et al., 1985
Bonetskaya, A.K.; Kravchenko, M.A.; Frenkel, Ts.M.; Pankratov, V.A.; Vinogradova, S.V.; Korshak, V.V.,
Kinetics and heat of cyclotrimerization of aryl and alkyl isocyanates,
Vysokomol. Soedin., Ser. A, 1985, 27, 1269-1273. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.