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Urea, N,N-dimethyl-

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Gas 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
Deltafgas-52.57 ± 0.27kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987

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-76.26 ± 0.16kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987
Quantity Value Units Method Reference Comment
Deltacsolid-479.16 ± 0.13kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987

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:
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
Tfus454.KN/ADellaGatta and Ferro, 1987Uncertainty assigned by TRC = 0.5 K; TRC
Tfus455.2KN/AZordan, Hurkot, et al., 1972Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Deltasub22.3 ± 0.07kcal/molGSEmel'yanenko, Kabo, et al., 2006Based on data from 346. - 398. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
22.6 ± 0.33348.MEZaitsau, Kabo, et al., 2003Based on data from 323. - 372. K.; AC
22.6 ± 0.33350.MEZaitsau, Kabo, et al., 2003Based on data from 323. - 372. K.; AC
22.3 ± 0.1350.CZaitsau, Kabo, et al., 2003AC
23.7 ± 0.2353.CKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987; ALS
22.1 ± 0.31357.TEPiacente, Ferro, et al., 1990Based on data from 326. - 369. K. See also Ferro, Barone, et al., 1987.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
7.0770454.0Della Gatta and Ferro, 1987DH
6.957454.Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
15.6454.0Della 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:


Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H7N2O- + Hydrogen cation = Urea, N,N-dimethyl-

By formula: C3H7N2O- + H+ = C3H8N2O

Quantity Value Units Method Reference Comment
Deltar361.8 ± 2.5kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar354.8 ± 2.4kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

Formaldehyde + Urea, N,N-dimethyl- = Urea, 3-(hydroxymethyl)-1,1-dimethyl-

By formula: CH2O + C3H8N2O = C4H10N2O2

Quantity Value Units Method Reference Comment
Deltar-4.8 ± 0.2kcal/molKinPerepelkova, Igranova, et al., 1981liquid phase; solvent: Phosphate buffer; ALS

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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

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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-5005
NIST MS number 230091

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

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]

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]

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]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Perepelkova, Igranova, et al., 1981
Perepelkova, T.I.; Igranova, E.G.; Moiseev, V.D.; Demchenko, L.Ya.; Zhuravleva, I.I., Calorimetric study of the methylolation of 1,1-dimethylurea, Khim. Promst. Ser. Proizvod. Pererab. Plastmass Sint. Smol, 1981, 15-18. [all data]


Notes

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