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Urea, N,N-diethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-272.3 ± 1.6kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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 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
Deltafsolid-372.2 ± 1.1kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3310.32 ± 0.89kJ/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987; ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
185.2300.Krasulin, Kozyro, et al., 1986T = 140 to 310 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tfus342.3KN/ADellaGatta and Ferro, 1987Uncertainty assigned by TRC = 0.4 K; TRC
Tfus348.430KN/AKrasulin, Kozyro, et al., 1986, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple348.0KN/AKabo, Miroshnichenko, et al., 1990, 2Uncertainty assigned by TRC = 0.00001 K; TRC
Quantity Value Units Method Reference Comment
Deltasub95.7 ± 0.7kJ/molGSEmel'yanenko, Kabo, et al., 2006Based on data from 312. - 339. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
96.800326.N/AKrasulin, Kozyro, et al., 1986DH
95.5 ± 0.8324.MEZaitsau, Kabo, et al., 2003Based on data from 305. - 347. K.; AC
94.9 ± 0.8350.MEZaitsau, Kabo, et al., 2003Based on data from 305. - 347. K.; AC
94.7 ± 0.2350.CZaitsau, Kabo, et al., 2003AC
99.9 ± 1.1320.CKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987; ALS

Entropy of sublimation

DeltasubS (J/mol*K) Temperature (K) Reference Comment
296.9326.Krasulin, Kozyro, et al., 1986DH

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
16.780342.3Della Gatta and Ferro, 1987DH
16.78342.3Acree, 1991See also Kabo, Kozyro, et al., 1995 and Kabo, Miroshnichenko, et al., 1990.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
49.0342.3Della Gatta and Ferro, 1987DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.000195. - 225.crystaline, IIcrystaline, IKrasulin, Kozyro, et al., 1986Reversible transition.; DH
16.100384.43crystaline, IliquidKrasulin, Kozyro, et al., 1986DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
9.61195. - 225.crystaline, IIcrystaline, IKrasulin, Kozyro, et al., 1986Reversible; DH
41.9384.43crystaline, IliquidKrasulin, Kozyro, et al., 1986DH

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:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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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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-4670
NIST MS number 230637

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, 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]

Krasulin, Kozyro, et al., 1986
Krasulin, A.P.; Kozyro, A.A.; Dalidovich, S.V., Thermodynamic properties of N,N-diethylurea, Zhur. Fiz. Khim., 1986, 60, 2580-2583. [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]

Krasulin, Kozyro, et al., 1986, 2
Krasulin, A.P.; Kozyro, A.A.; Dalidovich, S.V., Thermodynamic properties of N,N-diethylurea, Zh. Fiz. Khim., 1986, 60, 2580-3. [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]

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]

Kabo, Kozyro, et al., 1995
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]


Notes

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