Imidodicarbonic diamide
- Formula: C2H5N3O2
- Molecular weight: 103.0800
- IUPAC Standard InChI: InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
- IUPAC Standard InChIKey: OHJMTUPIZMNBFR-UHFFFAOYSA-N
- CAS Registry Number: 108-19-0
- 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: Allophanamide; Allophanic acid amide; Allophanimidic acid; Biuret; Carbamylurea; Dicarbamylamine; Isobiuret; Urea, (aminocarbonyl)-; Ureidoformamide; L-101; NSC 8020
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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°gas | -104.4 ± 0.67 | kcal/mol | Ccb | Kozyro, Frenkel, et al., 1988 |
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 | -134.72 ± 0.51 | kcal/mol | Ccb | Kozyro, Frenkel, et al., 1988 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -224.18 ± 0.50 | kcal/mol | Ccb | Kozyro, Frenkel, et al., 1988 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 34.92 | cal/mol*K | N/A | Luff and Reed, 1982 | DH |
| S°solid,1 bar | 34.92 | cal/mol*K | N/A | Kozyro, Frenkel', et al., 1988 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.38 | 298.15 | Kozyro, Frenkel', et al., 1988 | T = 240 to 450 K.; DH |
| 31.38 | 298.15 | Luff and Reed, 1982 | T = 5 to 320 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
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 |
|---|---|---|---|---|---|
| ΔsubH° | 30.28 ± 0.45 | kcal/mol | V | Kozyro, Frenkel, et al., 1988 | ALS |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.232 | 372. | crystaline, II | crystaline, I | Kozyro, Frenkel', et al., 1988 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.607 | 372. | crystaline, II | crystaline, I | Kozyro, Frenkel', et al., 1988 | DH |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 412 |
| NIST MS number | 228868 |
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. 19958 |
| Instrument | Unicam SP 500 |
| Melting point | 188 dec. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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, Frenkel, et al., 1988
Kozyro, A.A.; Frenkel, M.L.; Krasulin, A.P.; Simirskii, V.V.; Kabo, G.Ya.,
Thermodynamic properties of biuret in different states of aggregation,
Russ. J. Phys. Chem. (Engl. Transl.), 1988, 62, 897-899. [all data]
Luff and Reed, 1982
Luff, B.B.; Reed, R.B.,
Low-temperature heat capacity and entropy of oxalic acid and of biuret,
J. Chem. Eng. Data, 1982, 27, 290-292. [all data]
Kozyro, Frenkel', et al., 1988
Kozyro, A.A.; Frenkel', M.L.; Krasulin, A.P.; Simirskii, V.V.; Kabo, G.Ya.,
Thermodynamic properties of biuret in different states of aggregation,
Zhur. Fiz. Khim., 1988, 62, 1752-1756. [all data]
Johnson, 1966
Johnson, E.A.,
UV atlas of organic compounds, 1966, 1, B11/2. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- 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) ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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