Thiourea, N,N'-diethyl-
- Formula: C5H12N2S
- Molecular weight: 132.227
- IUPAC Standard InChIKey: FLVIGYVXZHLUHP-UHFFFAOYSA-N
- CAS Registry Number: 105-55-5
- 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. - Other names: Urea, 1,3-diethyl-2-thio-; N,N'-Diethylthiocarbamide; N,N'-Diethylthiourea; Pennzone E; U 15030; 1,3-Diethyl-2-Thiourea; 1,3-Diethylthiourea; N,N'-Diethylthiourea (sym); NCI-C03816; USAF EK-1803; Thiate H; NSC 3507; Diethyl-2-thiourea
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 350.6 | K | N/A | Terenzi and Piacente, 1994 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 29.1 ± 0.7 | kcal/mol | B | Della Gatta, Józwiak, et al., 2000 | AC |
ΔsubH° | 28.73 ± 0.72 | kcal/mol | B | Terenzi and Piacente, 1994, 2 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.1 ± 0.72 | 368. | ME,TE | Terenzi and Piacente, 1994, 2 | Based on data from 351. to 384. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.097 | 350.5 | DSC | Della Gatta, Józwiak, et al., 2000 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
7.98 ± 0.05 | EI | Baldwin, Maccoll, et al., Ind. 1966 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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-1999 |
NIST MS number | 228131 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
Terenzi and Piacente, 1994
Terenzi, L.; Piacente, V.,
vapour pressures and vaporization enthalpies of thiourea and a homologous series of its 1,3-dialkyl derivatives,
Thermochim. Acta, 1994, 235, 61-6. [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]
Terenzi and Piacente, 1994, 2
Terenzi, L.; Piacente, V.,
Vapour pressures and vaporization enthalpies of thiourea and a homologous series of its 1,3-dialkyl derivatives,
Thermochimica Acta, 1994, 235, 1, 61-66, https://doi.org/10.1016/0040-6031(94)80083-9
. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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