Urea, methyl-
- Formula: C2H6N2O
- Molecular weight: 74.0818
- IUPAC Standard InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N
- CAS Registry Number: 598-50-5
- 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: Methylurea; Monomethylurea; N-Methylurea; 1-Methylurea; CH3NHCONH2; Methylmocovina
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Phase change data
Go To: Top, 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 |
---|---|---|---|---|---|
Tfus | 373.8 | K | N/A | DellaGatta and Ferro, 1987 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 375.3 | K | N/A | Zordan, Hurkot, et al., 1972 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 375.0 | K | N/A | Ferloni and DellaGatta, 1995 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 378. | K | N/A | Kabo, Miroshnichenko, et al., 1990 | Uncertainty assigned by TRC = 0.00001 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 95.5 ± 0.5 | kJ/mol | GS | Emel'yanenko, Kabo, et al., 2006 | Based on data from 331. to 365. K.; AC |
ΔsubH° | 97.10 ± 0.40 | kJ/mol | C | Kozyro, Kabo, et al., 1993 | crystal phase; ALS |
ΔsubH° | 97.1 ± 0.4 | kJ/mol | N/A | Kozyro, Kabo, et al., 1993 | AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
95.730 | 343. | N/A | Kozyro, Kabo, et al., 1993 | DH |
96.9 ± 1.2 | 347. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 322. to 371. K.; AC |
96.8 ± 1.2 | 350. | ME | Zaitsau, Kabo, et al., 2003 | Based on data from 322. to 371. K.; AC |
94.4 ± 0.8 | 350. | C | Zaitsau, Kabo, et al., 2003 | AC |
94.38 ± 0.85 | 343. | C | Kozyro, Kabo, et al., 1993 | Hfusion=13.6±2.0 kJ/mol; ALS |
94.4 ± 0.84 | 343. | C | Kozyro, Kabo, et al., 1993 | AC |
99.3 ± 0.7 | 337. | C | Kabo, Miroshnichenko, et al., 1990, 2 | see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986; ALS |
94.9 ± 0.6 | 337. | C | Kabo, Miroshnichenko, et al., 1990, 2 | AC |
93.3 ± 1.2 | 355. | TE | Piacente, Ferro, et al., 1990 | See also Ferro, Barone, et al., 1987.; AC |
87.3 | 348. | N/A | Ferro, Barone, et al., 1987 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.750 | 373.8 | N/A | Della Gatta and Ferro, 1987 | DH |
12.5 | 372. | DSC | Hashimoto, Tajima, et al., 2005 | AC |
16.6 | 375. | DSC | Ferloni and Gatta, 1995 | AC |
14.06 | 378.1 | N/A | Kabo, Miroshnichenko, et al., 1990, 2 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
42.1 | 373.8 | Della Gatta and Ferro, 1987 | DH |
IR Spectrum
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: Coblentz Society, Inc.
Condensed Phase 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 SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP. |
Source reference | COBLENTZ NO. 05868 |
Date | Not specified, most likely prior to 1970 |
Name(s) | N-methylurea |
State | SOLID (OIL MULL) |
Instrument | BAIRD (GRATING) |
Instrument parameters | NaCl PRISM |
Path length | CAPILLARY |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Melting point | 98-100 C |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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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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-1722 |
NIST MS number | 229392 |
References
Go To: Top, Phase change 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.
DellaGatta and Ferro, 1987
DellaGatta, G.; Ferro, D.,
Enthalpies of fusion and solid-to-solid transition, entropies of fusion for urea and twelve alkylurea,
Thermochim. Acta, 1987, 122, 143-52. [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]
Ferloni and DellaGatta, 1995
Ferloni, P.; DellaGatta, G.,
Heat capacities of urea, N-methylurea, N-ethylurea, N-(n)propylurea, and N- (n)butylurea in the range 200 to 360 K,
Thermochim. Acta, 1995, 266, 203-12. [all data]
Kabo, Miroshnichenko, et al., 1990
Kabo, G.Ya.; Miroshnichenko, E.A.; Frenkel, M.L.; Kozyro, A.A.; Simirsky, V.V.; Krasulin, A.P.; Vorob'eva, V.P.; Lebedev, Yu.A.,
Thermochemistry of Alkyl Derivatives of Urea,
Izv. Akad. Nauk SSSR, Ser. Khim., 1990, No. 4, 750-5. [all data]
Emel'yanenko, Kabo, et al., 2006
Emel'yanenko, Vladimir N.; Kabo, Gennady J.; Verevkin, Sergey P.,
Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea,
J. Chem. Eng. Data, 2006, 51, 1, 79-87, https://doi.org/10.1021/je050230z
. [all data]
Kozyro, Kabo, et al., 1993
Kozyro, A.A.; Kabo, G.J.; Krasulin, A.P.; Sevruk, V.M.; Simirsky, V.V.; Sheiman, M.S.; Frenkel, M.L.,
Thermodynamic properties of methylurea,
J. Chem. Thermodyn., 1993, 25, 1409-1417. [all data]
Zaitsau, Kabo, et al., 2003
Zaitsau, Dz; Kabo, G.J.; Kozyro, A.A.; Sevruk, V.M.,
The effect of the failure of isotropy of a gas in an effusion cell on the vapor pressure and enthalpy of sublimation for alkyl derivatives of carbamide,
Thermochimica Acta, 2003, 406, 1-2, 17-28, https://doi.org/10.1016/S0040-6031(03)00231-4
. [all data]
Kabo, Miroshnichenko, et al., 1990, 2
Kabo, G.Ya.; Miroshnichenko, E.A.; Frenkel, M.L.; Kozyro, A.A.; Simirskii, V.V.; Krasulin, A.P.; Vorob'eva, V.P.; Lebedev, Yu.A.,
Thermochemistry of urea alkyl derivatives,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990, 662-667. [all data]
Simirsky, Kabo, et al., 1987
Simirsky, V.V.; Kabo, G.J.; Frenkel, M.L.,
Additivity of the enthalpies of formation of urea derivatives in the crystalline state,
J. Chem. Thermodyn., 1987, 19, 1121-1127. [all data]
Simirskii, Kabo, et al., 1986
Simirskii, V.V.; Kabo, G.Ya.; Frenkel, M.L.,
Enthalpies of combustion and of formation of monoalkyl derivatives of urea,
Russ. J. Phys. Chem. (Engl. Transl.), 1986, 60, 1233-1234. [all data]
Piacente, Ferro, et al., 1990
Piacente, V.; Ferro, D.; Gatta, G. Della,
Sublimation enthalpy of eleven alkyl derivatives of urea,
Thermochimica Acta, 1990, 158, 1, 79-85, https://doi.org/10.1016/0040-6031(90)80054-3
. [all data]
Ferro, Barone, et al., 1987
Ferro, D.; Barone, G.; Della Gatta, G.; Piacente, V.,
Vapour pressures and sublimation enthalpies of urea and some of its derivatives,
The Journal of Chemical Thermodynamics, 1987, 19, 9, 915-923, https://doi.org/10.1016/0021-9614(87)90038-3
. [all data]
Della Gatta and Ferro, 1987
Della Gatta, G.; Ferro, D.,
Enthalpies of fusion and solid-to-solid transition, entropies of fusion for urea and twelve alkylureas,
Thermochim. Acta, 1987, 122, 143-152. [all data]
Hashimoto, Tajima, et al., 2005
Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi,
Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study,
Journal of Molecular Structure, 2005, 734, 1-3, 23-33, https://doi.org/10.1016/j.molstruc.2004.08.008
. [all data]
Ferloni and Gatta, 1995
Ferloni, Paolo; Gatta, Giuseppe Della,
Heat capacities of urea, N-methylurea, N-ethylurea, N-(n)propylurea, and N-(n)butylurea in the range 200 to 360 K,
Thermochimica Acta, 1995, 266, 203-212, https://doi.org/10.1016/0040-6031(95)02453-0
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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