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Acetamide, N-(aminocarbonyl)-

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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-441.7 ± 0.9kJ/molCcrImamura, Takahashi, et al., 1989see Imamura, Murata, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-544.74 ± 0.55kJ/molCcrImamura, Takahashi, et al., 1989see Imamura, Murata, et al., 1988
Quantity Value Units Method Reference Comment
Deltacsolid-1493.3 ± 0.3kJ/molCcrImamura, Takahashi, et al., 1989see Imamura, Murata, et al., 1988

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub103.05 ± 0.67kJ/molCImamura, Takahashi, et al., 1989see Imamura, Murata, et al., 1988; ALS
Deltasub103.1 ± 0.7kJ/molN/AImamura, Murata, et al., 1988AC
Deltasub103.1 ± 0.7kJ/molCMurata, Sakiyama, et al., 1985AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
102.4 ± 0.7383.Imamura, Murata, et al., 1988Based on data from 360. - 407. K.; AC

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 by: John E. Bartmess

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

C3H5N2O2- + Hydrogen cation = Acetamide, N-(aminocarbonyl)-

By formula: C3H5N2O2- + H+ = C3H6N2O2

Quantity Value Units Method Reference Comment
Deltar1458. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; Acid: acetylurea
Quantity Value Units Method Reference Comment
Deltar1427. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; Acid: acetylurea

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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.3PEDougherty, Wittel, et al., 1976Vertical value; LLK

De-protonation reactions

C3H5N2O2- + Hydrogen cation = Acetamide, N-(aminocarbonyl)-

By formula: C3H5N2O2- + H+ = C3H6N2O2

Quantity Value Units Method Reference Comment
Deltar1458. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; Acid: acetylurea; B
Quantity Value Units Method Reference Comment
Deltar1427. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; Acid: acetylurea; B

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.

Spectrum

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Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 1806
Date Not specified, most likely prior to 1970
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Data processing (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

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-NW-5013
NIST MS number 230115

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

Imamura, Takahashi, et al., 1989
Imamura, A.; Takahashi, K.; Murata, S.; Sakiyama, M., Standard enthalpies of formation of trimethyl cyanurate, malonamide, and 1,3-dimethyluracil, J. Chem. Thermodyn., 1989, 21, 237-246. [all data]

Imamura, Murata, et al., 1988
Imamura, A.; Murata, S.; Sakiyama, M., Combustion and sublimation calorimetric studies on acetylurea and trimethyl isocyanurate, J. Chem. Thermodyn., 1988, 20, 389-396. [all data]

Murata, Sakiyama, et al., 1985
Murata, S.; Sakiyama, M.; Seki, S., Sublimation calorimetric studies using a calvet microcalorimeter, Thermochimica Acta, 1985, 88, 1, 121-126, https://doi.org/10.1016/0040-6031(85)85419-8 . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [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]


Notes

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