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Ethanone, 1-(1H-pyrrol-2-yl)-

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Phase change data

Go To: Top, Gas phase ion energetics 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:
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

Quantity Value Units Method Reference Comment
Tboil493.2KN/AWeast and Grasselli, 1989BS
Tboil493.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus363.KN/ABuckingham and Donaghy, 1982BS
Tfus363.KN/ACumper and Wood, 1971Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltasub81.2 ± 1.0kJ/molMESantos, Gomes, et al., 2009Based on data from 277. - 293. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
81.3 ± 1.0285.MESantos, Gomes, et al., 2009Based on data from 277. - 293. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.08363.Flores, Adriana Camarillo, et al., 2009AC

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

Go To: Top, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C6H7NO+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.72 ± 0.05EILinda, Marino, et al., 1971

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics 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 GEORGE R. WALLER AND BOBBY R. JOHNSON, OKLAHOMA STATE UNIV, USA
NIST MS number 51894

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References

Go To: Top, Phase change data, Gas phase ion energetics 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.

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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Cumper and Wood, 1971
Cumper, C.W.N.; Wood, J.W.M., Dielectric relaxation and dipole moments of substituted pyrroles., J. Chem. Soc. B, 1971, 1811. [all data]

Santos, Gomes, et al., 2009
Santos, Ana Filipa L.O.M.; Gomes, Jose R.B.; Ribeiro da Silva, Manuel A.V., 2- and 3-Acetylpyrroles: A Combined Calorimetric and Computational Study, J. Phys. Chem. A, 2009, 113, 15, 3630-3638, https://doi.org/10.1021/jp810407m . [all data]

Flores, Adriana Camarillo, et al., 2009
Flores, Henoc; Adriana Camarillo, E.; Mentado, Juan, Enthalpies of combustion and formation of 2-acetylpyrrole, 2-acetylfuran and 2-acetylthiophene, Thermochimica Acta, 2009, 493, 1-2, 76-79, https://doi.org/10.1016/j.tca.2009.04.012 . [all data]

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]


Notes

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