1H-Pyrrole, 1-phenyl-

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcsolid-5375.6 ± 5.4kJ/molCcbStern and Klebs, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -5383.1 kJ/mol; Heat of combustion at 288 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil507.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus335.KN/ACumper and Wood, 1971Uncertainty assigned by TRC = 2. K; TRC
Tfus333.65KN/AKofod, Sutton, et al., 1952Uncertainty assigned by TRC = 1.5 K; TRC
Tfus334.KN/AAdkins and Coonradt, 1941Uncertainty assigned by TRC = 2. K; TRC
Tfus331.KN/AAdkins and Coonradt, 1941Uncertainty assigned by TRC = 7. K; TRC

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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 COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC.
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. 7951
Date 1965/10/14
Name(s) 1-phenyl-1H-pyrrole
State SOLUTION (10% CCl4 FOR 3800-1340, 10% CS2 FOR 1340-400 CM-1)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON
Path length 0.012 CM, 0.011 CM
SPECTRAL CONTAMINATION DUE TO CS2 AROUND 850 AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED
SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 400 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Melting point 60 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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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-6787
NIST MS number 230891

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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.

Stern and Klebs, 1933
Stern, A.; Klebs, G., Calorimetrische Bestimmungen bei einfachen und mehrkernigen Pyrrolderivaten, Ann., 1933, 504, 287-297. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 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]

Kofod, Sutton, et al., 1952
Kofod, H.; Sutton, L.E.; Jackson, J., The molecular structure of pyrrole and some of its simple derivatives, from electric dipole moment measurements, J. Chem. Soc., 1952, 1952, 1467. [all data]

Adkins and Coonradt, 1941
Adkins, H.; Coonradt, H.L., The Selective Hydrogenation of Derivatives of Pyrrole, Indole, Carbazole and Acridine, J. Am. Chem. Soc., 1941, 63, 1563-70. [all data]


Notes

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