Thiourea
- Formula: CH4N2S
- Molecular weight: 76.121
- IUPAC Standard InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
- IUPAC Standard InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
- CAS Registry Number: 62-56-6
- 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: Urea, thio-; β-Thiopseudourea; Pseudothiourea; Pseudourea, 2-thio-; Thiocarbamide; THU; 2-Thiourea; (NH2)2CS; Sulourea; Urea, 2-thio-; USAF EK-497; Isothiourea; Rcra waste number U219; Thiocarbonic acid diamide; Thiomocovina; 2-Thiopseudourea; Tsizp 34; UN 2877; Sulfourea; NSC 5033
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Gas phase 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 5.47 ± 0.38 | kcal/mol | Ccr | Gomez and Sabbah, 1982 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 | -21.3 ± 0.1 | kcal/mol | Ccr | Gomez and Sabbah, 1982 | ALS |
| ΔfH°solid | -21.5 | kcal/mol | Ccb | Becker and Roth, 1934 | hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -353.26 ± 0.11 | kcal/mol | Ccr | Gomez and Sabbah, 1982 | ALS |
| ΔcH°solid | -352.40 ± 0.50 | kcal/mol | Ccr | Sunner, 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -354.62 kcal/mol; ALS |
| ΔcH°solid | -355.7 ± 0.2 | kcal/mol | Ccb | Becker and Roth, 1934 | hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 27.68 | cal/mol*K | N/A | Westrum and Chang, 1967 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 23.16 | 298.15 | Torres Gomez and Sabbah, 1982 | Cp data given as 1.273 J/g*K. Data from 67WES/CHA.; DH |
| 23.16 | 298.15 | Westrum and Chang, 1967 | Temperature range.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gomez and Sabbah, 1982
Gomez, L.A.T.; Sabbah, R.,
Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide,
Thermochim. Acta, 1982, 57, 67-81. [all data]
Becker and Roth, 1934
Becker, G.; Roth, W.A.,
Zur bestimmung der verbrennungswarme von organischen schwefelverbindunge,
Z. Phys. Chem., 1934, 169, 287-296. [all data]
Sunner, 1946
Sunner, S.,
Determination of combustion heats of organo-sulphur compounds,
Svensk. Kim. Tidr., 1946, 58, 71-81. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Westrum and Chang, 1967
Westrum, E.F., Jr.; Chang, E.,
Properties thermiques cryogenetiques de la thio-uree ferroelectrique,
Colloq. Internat. du, 1967, C.N.R.S. (156), 163-173. [all data]
Torres Gomez and Sabbah, 1982
Torres Gomez, L.A.F.; Sabbah, R.,
Thermodynamic de substances soufrees. IV. Etude thermochimique de las thiouree, de la thiosemicarbazide et de la thiocarbohydrazide,
Thermochim. Acta, 1982, 57, 67-81. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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) 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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