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Urea, (1,1-dimethylethyl)-

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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-75.05 ± 0.35kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986

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-99.12 ± 0.21kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986
Quantity Value Units Method Reference Comment
Deltacsolid-781.02 ± 0.13kcal/molCcbKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986

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, Kenneth Kroenlein 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
Tfus449.8KN/ADellaGatta and Ferro, 1987Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Deltasub23.5 ± 0.1kcal/molGSEmel'yanenko, Kabo, et al., 2006Based on data from 335. - 397. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
23.3 ± 0.2353.MEZaitsau, Kabo, et al., 2003Based on data from 333. - 372. K.; AC
23.4 ± 0.2350.MEZaitsau, Kabo, et al., 2003Based on data from 333. - 372. K.; AC
22.6 ± 0.2350.CZaitsau, Kabo, et al., 2003AC
24.07 ± 0.29354.CKabo, Miroshnichenko, et al., 1990see Simirsky, Kabo, et al., 1987 and Simirskii, Kabo, et al., 1986; ALS
24.3 ± 0.2379.TEPiacente, Ferro, et al., 1990AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
7.9183449.8Della Gatta and Ferro, 1987DH
7.918449.8Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
17.6449.8Della 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:


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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR 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 DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 07967
Date 1965/07/15
Name(s) N-(tert-butyl)urea
State SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1330 CM-1, NUJOL FOR 1330-400 CM-1
Instrument BECKMAN IR-9 (GRATING)
Instrument parameters ORDER CHANGES: 670, 1200, 2000 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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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

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-IW-6830
NIST MS number 242120

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

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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]

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]

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]

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]

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]


Notes

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