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Thiourea

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas22.9 ± 1.6kJ/molCcrGomez and Sabbah, 1982 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafsolid-89.1 ± 0.5kJ/molCcrGomez and Sabbah, 1982ALS
Deltafsolid-90.0kJ/molCcbBecker and Roth, 1934hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1478.03 ± 0.45kJ/molCcrGomez and Sabbah, 1982ALS
Deltacsolid-1474.4 ± 2.1kJ/molCcrSunner, 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -1483.7 kJ/mol; ALS
Deltacsolid-1488. ± 0.8kJ/molCcbBecker and Roth, 1934hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar115.8J/mol*KN/AWestrum and Chang, 1967DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
96.90298.15Torres Gomez and Sabbah, 1982Cp data given as 1.273 J/g*K. Data from 67WES/CHA.; DH
96.90298.15Westrum and Chang, 1967Temperature range.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
Tfus452.2KN/AKim, Lee, et al., 1994Uncertainty assigned by TRC = 0.5 K; TRC
Tfus448.05KN/ADonnelly, Drewes, et al., 1990Uncertainty assigned by TRC = 0.2 K; TRC
Tfus453.3KN/AZordan, Hurkot, et al., 1972Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Deltasub112. ± 2.kJ/molMEDella Gatta, Józwiak, et al., 2000AC
Deltasub111. ± 3.0kJ/molN/AFerro, Martino, et al., 1994AC
Deltasub107.6kJ/molN/ADe Wit, Van Miltenburg, et al., 1983AC
Deltasub112. ± 1.5kJ/molCAlfonso, Gomez, et al., 1982AC
Deltasub112.0 ± 1.5kJ/molCGomez and Sabbah, 1982ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
112.000298.15N/ATorres Gomez and Sabbah, 1982DH
103.9 ± 0.3387.METorres, Hernandez-Contreras, et al., 1999Based on data from 378. - 396. K.; AC
109. ± 2.0408.TEFerro, Martino, et al., 1994AC
106.6384.TE,MEDe Wit, Van Miltenburg, et al., 1983Based on data from 368. - 395. K.; AC

Entropy of sublimation

DeltasubS (J/mol*K) Temperature (K) Reference Comment
375.6298.15Torres Gomez and Sabbah, 1982DH

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
15.64444.7Della Gatta, Józwiak, et al., 2000AC
12.6452.2Dou, Fuess, et al., 1994AC
12.55452.2Kim, Lee, et al., 1994, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)893.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity863.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.50EIBaldwin, Loudon, et al., 1976LLK
7.9PEDebies and Rabalais, 1974LLK
8.50 ± 0.05EIBaldwin, Maccoll, et al., Ind. 1966RDSH
8.50PEMines and Thompson, 1975Vertical value; LLK
8.41 ± 0.03PEGuimon, Pfister-Guillouzo, et al., 1974Vertical value; LLK
8.41PEGuimon, Gonbeau, et al., 1974Vertical value; LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR 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 DOW CORNING CORP.
Source reference COBLENTZ NO. 4841
Date 1966
State SOLID (MINERAL OIL MULL)
Instrument PERKIN-ELMER 521 (GRATING)
Instrument parameters FILTERS AT 3150, 2500, 2000, 1150, 700, 410; GRATING CHANGES AT 2000, 630 CM-1
Path length
SPECTRAL CONTAMINATIN DUE TO OIL AROUND 2900 CM-1
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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1.) Enter the desired X axis range (e.g., 100, 200)
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

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-1171
NIST MS number 229694

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Debies and Rabalais, 1974
Debies, T.P.; Rabalais, J.W., Electronic structure of amino acids and ureas, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 315. [all data]

Baldwin, Maccoll, et al., Ind. 1966
Baldwin, M.; Maccoll, A.; Kirkien-Konasiewicz, A.; Saville, B., Ionisation potentials of the N-methylated thioureas, Chem., Ind. 1966, 286. [all data]

Mines and Thompson, 1975
Mines, G.W.; Thompson, H.W., The photoelectron spectra of amides, thioamides, ureas and thioureas, Spectrochim. Acta, 1975, 31, 137. [all data]

Guimon, Pfister-Guillouzo, et al., 1974
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M.; Chanon, M., Electronic structure of sulphur compounds. VII. Photoelectron spectra of thiocarbonyl J. Heterocycl. Chem.., Tetrahedron, 1974, 30, 3831. [all data]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References