Thiourea
- Formula: CH4N2S
- Molecular weight: 76.121
- 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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Condensed phase thermochemistry 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:
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 |
Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tfus | 452.2 | K | N/A | Kim, Lee, et al., 1994 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 448.05 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 453.3 | K | N/A | Zordan, Hurkot, et al., 1972 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 26.8 ± 0.5 | kcal/mol | ME | Della Gatta, Józwiak, et al., 2000 | AC |
ΔsubH° | 26.5 ± 0.72 | kcal/mol | N/A | Ferro, Martino, et al., 1994 | AC |
ΔsubH° | 25.72 | kcal/mol | N/A | De Wit, Van Miltenburg, et al., 1983 | AC |
ΔsubH° | 26.8 ± 0.36 | kcal/mol | C | Alfonso, Gomez, et al., 1982 | AC |
ΔsubH° | 26.77 ± 0.36 | kcal/mol | C | Gomez and Sabbah, 1982 | ALS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.7686 | 298.15 | N/A | Torres Gomez and Sabbah, 1982 | DH |
24.83 ± 0.07 | 387. | ME | Torres, Hernandez-Contreras, et al., 1999 | Based on data from 378. to 396. K.; AC |
26.1 ± 0.48 | 408. | TE | Ferro, Martino, et al., 1994 | AC |
25.48 | 384. | TE,ME | De Wit, Van Miltenburg, et al., 1983 | Based on data from 368. to 395. K.; AC |
Entropy of sublimation
ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
89.77 | 298.15 | Torres Gomez and Sabbah, 1982 | DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.738 | 444.7 | Della Gatta, Józwiak, et al., 2000 | AC |
3.01 | 452.2 | Dou, Fuess, et al., 1994 | AC |
3.000 | 452.2 | Kim, Lee, et al., 1994, 2 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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]
Kim, Lee, et al., 1994
Kim, K.-J.; Lee, C.-H.; Ryu, S.-K.,
Solubility of Thiourea in C1 to C6 1-Alcohols,
J. Chem. Eng. Data, 1994, 39, 228-30. [all data]
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Zordan, Hurkot, et al., 1972
Zordan, T.A.; Hurkot, D.G.; Peterson, M.; Hepler, L.G.,
Enthalpies and entropies of melting from differential scanning calorimetry and freezing point depressions: urea, methylurea, 1, 1-dimethylurea, 1, 3- dimethylurea, tetramethylurea, and thiourea,
Thermochim. Acta, 1972, 5, 21. [all data]
Della Gatta, Józwiak, et al., 2000
Della Gatta, Giuseppe; Józwiak, Malgorzata; Brunetti, Bruno; Abate, Lorenzo,
Enthalpies and entropies of fusion and of sublimation at the temperature 298.15 K of thiourea and sevenN-alkylthioureas,
The Journal of Chemical Thermodynamics, 2000, 32, 8, 979-997, https://doi.org/10.1006/jcht.2000.0662
. [all data]
Ferro, Martino, et al., 1994
Ferro, Daniela; Martino, Rosalba; Gatta, Giuseppe Della,
Sublimation enthalpies and entropies of thiourea, 1-methyl-2-thiourea, 1,3-dimethyl-2-thiourea, and 1,1,3,3-tetramethyl-2-thiourea,
The Journal of Chemical Thermodynamics, 1994, 26, 2, 183-190, https://doi.org/10.1006/jcht.1994.1037
. [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]
Alfonso, Gomez, et al., 1982
Alfonso, Luis; Gomez, Torres; Sabbah, Raphaël,
Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide,
Thermochimica Acta, 1982, 57, 1, 67-81, https://doi.org/10.1016/0040-6031(82)87024-X
. [all data]
Torres, Hernandez-Contreras, et al., 1999
Torres, L.A.; Hernandez-Contreras, I.; Guardado, J.A.; Gonzalez, M.G.,
A quartz crystal microbalance to determine enthalpies of sublimation at intermediate temperatures by the Knudsen effusion method,
Meas. Sci. Technol., 1999, 5, 1, 51-54, https://doi.org/10.1088/0957-0233/5/1/009
. [all data]
Dou, Fuess, et al., 1994
Dou, S.-Q.; Fuess, H.; Schmahl, W.; Strauss, R.; Weiss, A.,
Orientational order-disorder and phase transition in solid trichloromethane sulfonic acid chloride, Cl3CSO2Cl,
Z. Naturforsch., A: Phys. Sci., 1994, 49, 4-5, 594. [all data]
Kim, Lee, et al., 1994, 2
Kim, Kwang-Joo; Lee, Choul-Ho; Ryu, Sheung-Kon,
Solubility of Thiourea in C1 to C6 1-Alcohols,
J. Chem. Eng. Data, 1994, 39, 2, 228-230, https://doi.org/10.1021/je00014a008
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change 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) Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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