Cyanuric acid
- Formula: C3H3N3O3
- Molecular weight: 129.0742
- IUPAC Standard InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N
- CAS Registry Number: 108-80-5
- 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. - Species with the same structure:
- Other names: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione; s-Triazine-2,4,6(1H,3H,5H)-trione; s-Triazine-2,4,6-triol; s-Triazinetriol; Isocyanuric acid; Pseudocyanuric acid; Tricyanic acid; Trihydroxycyanidine; 2,4,6-Trihydroxy-1,3,5-triazine; 1,3,5-Triazine-2,4,6-triol; s-2,4,6-Triazinetriol; sym-Triazinetriol; Kyselina kyanurova; 2,4,6-Trihydroxytriazine; 2,4,6-Trihydroxy-S-triazine; 2,4,6-Trioxohexahydro-1,3,5-triazine; 5-Azabarbituric acid; 2,4,6-Triazinetrione; Isocyanurate acid; s-Triazine-2,4,6-trione; s-Triazinetrione; Tricarbimide; NSC 6284
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -134.81 ± 0.35 | kcal/mol | Ccb | Kozyro, Kabo, et al., 1992 |
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 | -168.15 ± 0.35 | kcal/mol | Ccb | Kozyro, Kabo, et al., 1992 | ALS |
ΔfH°solid | -157.8 ± 0.5 | kcal/mol | Ccb | Selivanov, Karlik, et al., 1973 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -216.48 ± 0.35 | kcal/mol | Ccb | Kozyro, Kabo, et al., 1992 | ALS |
ΔcH°solid | -226.8 ± 0.5 | kcal/mol | Ccb | Selivanov, Karlik, et al., 1973 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 33.99 | cal/mol*K | N/A | Kozyro, Kabo, et al., 1992, 2 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.07 | 298.15 | Kozyro, Kabo, et al., 1992, 2 | T = 5 to 330 K.; DH |
31.938 | 300. | DeWit, DeKruif, et al., 1983 | T = 90 to 340 K. Cp = 20.63 + 0.3758 (T/K) J/mol*K (90 to 340 K).; DH |
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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 31.8 | kcal/mol | N/A | De Wit, Van Miltenburg, et al., 1983 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
33.34 | 470. | V | Kozyro, Kabo, et al., 1992 | ALS |
31.3 | 458. | ME,TE | De Wit, Van Miltenburg, et al., 1983 | Based on data from 440. to 473. K.; AC |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
Source reference | COBLENTZ NO. 1403 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 1,3,5-triazinane-2,4,6-trione SYS-TRIAZENETRIOL |
State | SOLID (MINERAL OIL MULL) |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Path length | SPECTRAL CONTAMINATION DUE TO OIL AROUND 2900 CM-1 |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Johnson, 1966 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19961 |
Instrument | Unicam SP 500 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kozyro, Kabo, et al., 1992
Kozyro, A.A.; Kabo, G.Ya.; Soldatova, T.V.; Simirskii, V.V.; Gogolinskii, V.I.; Krasulin, A.P.; Dudarevich, N.M.,
Thermodynamic properties of cyanuric acid,
Russ. J. Phys. Chem. (Engl. Transl.), 1992, 66, 1374-1377. [all data]
Selivanov, Karlik, et al., 1973
Selivanov, V.D.; Karlik, V.M.; Zagranicnyi, V.I.,
Standard enthalpies of formation ammeline, ammelide, melem, and melon,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 272. [all data]
Kozyro, Kabo, et al., 1992, 2
Kozyro, A.A.; Kabo, G.Ya.; Soldatova, T.V.; Simirskii, V.V.; Gogolinskii, V.I.; Krasulin, A.P.; Dudarevich, N.M.,
Thermodynamic properties of cyanuric acid,
Zhur. Fiz. Khim., 1992, 66(10), 2583-2590. [all data]
DeWit, DeKruif, et al., 1983
DeWit, H.G.M.; DeKruif, C.G.; Van Miltenburg, J.C.,
Thermodynamic properties of molecular organic crystals containing organic crystals containing nitrogen, oxygen, and sulfur. II. Molar heat capacities of eight compounds by adiabatic calorimetry,
J. Chem. Thermodynam., 1983, 15, 891-902. [all data]
De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G.,
Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation,
The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4
. [all data]
Johnson, 1966
Johnson, E.A.,
UV atlas of organic compounds, 1966, 1, B11/9. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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