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Urea, tetramethyl-

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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), UV/Visible 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-205.6 ± 1.1kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Kozyro, Krasulin, et al., 1988

Condensed phase thermochemistry data

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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
Deltafliquid-262.2 ± 1.1kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Kozyro, Krasulin, et al., 1988; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3420.36 ± 0.81kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Kozyro, Krasulin, et al., 1988; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
241.2320.Kozyro, Krasulin, et al., 1988, 2T = 160 to 425 K. Equation only. Cp(c) = 60.22 + 0.520 T J/mol*K (160 to 240 K); Cp(liq) = 153.30 + 0.2748 J/mol*K (320 to 425 K).; DH

Phase change data

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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil449.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus272.2KN/AKozyro, Krasulin, et al., 1988, 3Uncertainty assigned by TRC = 0.1 K; TRC
Tfus272.0KN/AZordan, Hurkot, et al., 1972Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple270.48KN/AKabo, Kozyro, et al., 1995Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap56.6 ± 0.8kJ/molCKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Kozyro, Krasulin, et al., 1988; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
41.7450.A,EBKneisl and Zondlo, 1987Based on data from 320. - 450. K.; AC
52.2325.A,EBKneisl and Zondlo, 1987Based on data from 320. - 450. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
13.400272.2Kozyro, Krasulin, et al., 1988, 2DH
13.400272.2Kozyro, Krasulin, et al., 1988, 2DH
14.0272.1Jamróz, Dobrowolski, et al., 2001AC
13.4272.2Kabo, Kozyro, et al., 1995, 2See also Domalski and Hearing, 1996.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
49.2272.2Kozyro, Krasulin, et al., 1988, 2DH
49.2272.2Kozyro, Krasulin, et al., 1988, 2DH

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), UV/Visible spectrum, 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)930.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity899.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.74 ± 0.05EIBaldwin, Kirkien-Konasiewicz, et al., 1966RDSH
8.64PEDougherty, Wittel, et al., 1976Vertical value; LLK
8.67PEMines and Thompson, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H6N+10.10?EILoudon and Webb, 1977LLK
C3H6NO+11.75?EILoudon and Webb, 1977LLK

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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, UV/Visible 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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Additional Data

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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-1075
NIST MS number 227758

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.


UV/Visible spectrum

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, Notes

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

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Luttringhaus and Dirksen, 1963
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 3072
Instrument n.i.g.
Melting point -1.2
Boiling point 176.5

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), UV/Visible spectrum, Notes

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

Kabo, Miroshnichenko, et al., 1990
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]

Kozyro, Krasulin, et al., 1988
Kozyro, A.A.; Krasulin, A.P.; Simirskii, V.V.; Markovnik, V.S., Thermodynamic properties of tetramethylurea, Russ. J. Phys. Chem. (Engl. Transl.), 1988, 62, 895-897. [all data]

Kozyro, Krasulin, et al., 1988, 2
Kozyro, A.A.; Krasulin, A.P.; Simirskii, V.V.; Markovnik, V.S., Thermodynamic properties of tetramethylurea, Zhur. Fiz. Khim., 1988, 62, 1747-1751. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Kozyro, Krasulin, et al., 1988, 3
Kozyro, A.A.; Krasulin, A.P.; Simirsky, V.V.; Markovnik, V.S., Thermodynamic properties of tetramethylurea, Zh. Fiz. Khim., 1988, 62, 1747-52. [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]

Kabo, Kozyro, et al., 1995
Kabo, G.Ya.; Kozyro, A.A.; Diky, V.V.; Simirsky, V.V., Additivity of Thermodynamic Properties of Organic Compounds in Crystalline State. 2. Heat Capacities and Enthalpies of Phase Transition of Alkyl Derivatives of Urea in Crystalline State, J. Chem. Eng. Data, 1995, 40, 371-93. [all data]

Kneisl and Zondlo, 1987
Kneisl, Philip; Zondlo, John W., Vapor pressure, liquid density, and the latent heat of vaporization as functions of temperature for four dipolar aprotic solvents, J. Chem. Eng. Data, 1987, 32, 1, 11-13, https://doi.org/10.1021/je00047a003 . [all data]

Jamróz, Dobrowolski, et al., 2001
Jamróz, Malgorzata E.; Dobrowolski, Jan Cz.; Polaczek, Jerzy; Szafranski, Andrzej M.; Kazimirski, Jan K.; Lisicki, Zygmunt, (Solid + liquid) equilibria, i.r., and semi-empirical studies of carbazole with selected tertiary amides, The Journal of Chemical Thermodynamics, 2001, 33, 5, 565-579, https://doi.org/10.1006/jcht.2000.0770 . [all data]

Kabo, Kozyro, et al., 1995, 2
Kabo, Gennady J.; Kozyro, Alexander A.; Diky, Vladimir V.; Simirsky, Vladimir V., Additivity of Thermodynamic Properties of Organic Compounds in Crystalline State. 2. Heat Capacities and Enthalpies of Phase Transition of Alkyl Derivatives of Urea in Crystalline State, J. Chem. Eng. Data, 1995, 40, 2, 371-393, https://doi.org/10.1021/je00018a005 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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, Kirkien-Konasiewicz, et al., 1966
Baldwin, M.; Kirkien-Konasiewicz, A.; Loudon, A.G.; Maccoll, A.; Smith, D., Localised or delocalised charges in molecule-ions?, Chem. Commun., 1966, 574. [all data]

Dougherty, Wittel, et al., 1976
Dougherty, D.; Wittel, K.; Meeks, J.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. Ureas, uracils, and thymine, J. Am. Chem. Soc., 1976, 98, 3815. [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]

Loudon and Webb, 1977
Loudon, A.G.; Webb, K.S., The nature of the [C2H6N]+ and [CH4N]+ ions formed by electron impact on methylated formamides, acetamides, ureas, thioureas and hexamethylphosphoramide, Org. Mass Spectrom., 1977, 12, 283. [all data]

Luttringhaus and Dirksen, 1963
Luttringhaus, A.; Dirksen, H.-W., Tetramethylharnstoff als losungsmittel und reaktionspartner, Angew. Chem., 1963, 75, 22, 1059-1068. [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), UV/Visible spectrum, References