1H-Pyrrole, 2,4-dimethyl-

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid53.062cal/mol*KN/ASteele, Chirico, et al., 1986 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
45.935298.15Steele, Chirico, et al., 1986T = 10 to 450 K.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil438.45KN/ALanum and Morris, 1969Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus268.435KN/ASteele, Chirico, et al., 1986DH
Quantity Value Units Method Reference Comment
Ttriple268.44KN/AChirico, Hossenlopp, et al., 1994Uncertainty assigned by TRC = 0.01 K; TRC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.3268.5Chirico, Hossenlopp, et al., 1994, 2AC

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

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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
7.54 ± 0.02PIPotapov and Yuzhakova, 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H8N+10.2 ± 0.1HPIPotapov and Yuzhakova, 1970RDSH

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 SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP.
Source reference COBLENTZ NO. 6298
Date Not specified, most likely prior to 1970
Name(s) 2,4-dimethyl-1H-pyrrole
State LIQUID (NEAT)
Instrument BAIRD (PRISM)
Instrument parameters NaCl PRISM
Path length 0.003 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
Boiling point 165 C

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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 D. GAMES, M. HEWLINS, A. JACKSON, CHEM DEPT, UNIV COLL, CARDIFF, U.K.
NIST MS number 51944

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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.

Steele, Chirico, et al., 1986
Steele, W.V.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Strube, M.M., Thermochemical and thermophysical properties of organic nitrogen compounds found in fossil materials, NIPER Report, 1986, 188, 112p. [all data]

Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C., Physical Properties of Some Sulfur and Nitrogen Compounds, J. Chem. Eng. Data, 1969, 14, 93-8. [all data]

Chirico, Hossenlopp, et al., 1994
Chirico, R.D.; Hossenlopp, I.A.; Gammon, B.E.; Knipmeyer, S.E.; Steele, W.V., Heat capacities between the temperatures 10 K and 445 K for 2,4-dimethylpyrrole and barriers to methyl-group rotation in the solid state for 2,4- and 2,5-dimethylpyrrolea,b, J. Chem. Thermodyn., 1994, 26, 11, 1219, https://doi.org/10.1006/jcht.1994.1139 . [all data]

Chirico, Hossenlopp, et al., 1994, 2
Chirico, R.D.; Hossenlopp, I.A.; Gammon, B.E.; Knipmeyer, S.E.; Steele, W.V., Heat capacities between the temperatures 10 K and 445 K for 2,4-dimethylpyrrole and barriers to methyl-group rotation in the solid state for 2,4- and 2,5-dimethylpyrrolea,b, The Journal of Chemical Thermodynamics, 1994, 26, 11, 1219-1230, https://doi.org/10.1006/jcht.1994.1139 . [all data]

Potapov and Yuzhakova, 1970
Potapov, V.K.; Yuzhakova, O.A., Photoionization and electronic structure of pyrrole and its methyl derivatives, Dokl. Akad. Nauk SSSR, 1970, 192, 131, In original 365. [all data]


Notes

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