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Urea, N,N'-dimethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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-52.96 ± 0.37kcal/molCcbKabo, Miroshnichenko, et al., 1990 

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-74.59 ± 0.67kcal/molCcbDavies, Finch, et al., 1991 
Deltafsolid-74.97 ± 0.28kcal/molCcbKabo, Miroshnichenko, et al., 1990 
Quantity Value Units Method Reference Comment
Deltacsolid-480.81 ± 0.67kcal/molCcbDavies, Finch, et al., 1991 
Deltacsolid-480.44 ± 0.27kcal/molCcbKabo, Miroshnichenko, et al., 1990 

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
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
Tboil542.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus377.5KN/ADavies, Finch, et al., 1991, 2Uncertainty assigned by TRC = 0.5 K; TRC
Tfus379.5KN/ADellaGatta and Ferro, 1987Uncertainty assigned by TRC = 0.2 K; TRC
Tfus379.9KN/AZordan, Hurkot, et al., 1972Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple371.0KN/AKabo, Miroshnichenko, et al., 1990, 2Uncertainty assigned by TRC = 0.00001 K; TRC
Quantity Value Units Method Reference Comment
Deltasub21.3 ± 0.1kcal/molGSEmel'yanenko, Kabo, et al., 2006Based on data from 313. - 357. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.9 ± 0.24347.MEZaitsau, Kabo, et al., 2003Based on data from 317. - 377. K.; AC
20.9 ± 0.24350.MEZaitsau, Kabo, et al., 2003Based on data from 317. - 377. K.; AC
20.7 ± 0.1350.CZaitsau, Kabo, et al., 2003AC
22.01 ± 0.24354.CKabo, Miroshnichenko, et al., 1990ALS
20.8 ± 0.1353.TEPiacente, Ferro, et al., 1990Based on data from 316. - 373. K. See also Ferro, Barone, et al., 1987.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.2553379.5Della Gatta and Ferro, 1987DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
8.58379.5Della Gatta and Ferro, 1987DH

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

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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 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)215.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity208.8kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.42 ± 0.05EIBaldwin, Kirkien-Konasiewicz, et al., 1966RDSH
9.23PEDougherty, Wittel, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH4N+11.45?EILoudon and Webb, 1977LLK
C2H4NO+11.90?EILoudon and Webb, 1977LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, NIST Free Links, 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

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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-4955
NIST MS number 229025

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, Mass spectrum (electron ionization), NIST Free Links, 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]

Davies, Finch, et al., 1991
Davies, R.H.; Finch, A.; Hill, J.O., The thermochemistry of 1,3-dimethylurea and 1,3-dimethylurea nitrate, Thermochim. Acta, 1991, 184, 243-250. [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]

Davies, Finch, et al., 1991, 2
Davies, R.H.; Finch, A.; Hill, J.O., The thermochemistry of 1,3-dimethylurea and 1,3-dimethylurea nitrate, Thermochim. Acta, 1991, 184, 243-50. [all data]

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]

Kabo, Miroshnichenko, et al., 1990, 2
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]

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]

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]

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]

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]


Notes

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