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Phenanthridine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas240.5 ± 4.2kJ/molCcrSteele, Chirico, et al., 1989 

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 as indicated in comments:
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
Deltafsolid141.9 ± 1.4kJ/molCcrSteele, Chirico, et al., 1989ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6542.8 ± 1.2kJ/molCcrSteele, Chirico, et al., 1989ALS
Quantity Value Units Method Reference Comment
solid,1 bar205.91J/mol*KN/ASteele, Chirico, et al., 1989DH
solid,1 bar205.91J/mol*KN/ASteele, Chirico, et al., 1988DH
solid,1 bar205.87J/mol*KN/ASteele, Chirico, et al., 1986DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
201.87298.15Steele, Chirico, et al., 1989T = 5 to 500 K.; DH
201.87298.15Steele, Chirico, et al., 1988T = 5 to 500 K.; DH
201.79298.15Steele, Chirico, et al., 1986T = 6 to 450 K.; DH

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus379.4KN/ACumper, Ginman, et al., 1962Uncertainty assigned by TRC = 1. K; TRC
Tfus379.65KN/ACumper, Ginman, et al., 1962Uncertainty assigned by TRC = 1. K; TRC
Tfus379.65KN/ATaylor and Kalenda, 1954Uncertainty assigned by TRC = 1.5 K; TRC
Tfus372.65KN/ATaylor and Martin, 1952Uncertainty assigned by TRC = 2. K; TRC
Tfus377.KN/APictet, 1905Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Ttriple379.94KN/ASteele, Chirico, et al., 1989, 2Uncertainty assigned by TRC = 0.02 K; extrapolated from T-1/f plot, IPTS-68; TRC
Ttriple379.74KN/ASteele, Chirico, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltasub98.6 ± 4.0kJ/molCSteele, Chirico, et al., 1989ALS
Deltasub98.6kJ/molN/ASteele, Chirico, et al., 1989DRB
Deltasub98.6kJ/molN/ASteele, Chirico, et al., 1989AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
622.21.03Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
74.3 ± 0.1380.IPMSteele, Chirico, et al., 1989Based on data from 383. - 473. K.; AC
71.6 ± 0.1420.IPMSteele, Chirico, et al., 1989Based on data from 383. - 473. K.; AC
68.9 ± 0.1460.IPMSteele, Chirico, et al., 1989Based on data from 383. - 473. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
100. ± 10.306.MEOja and Suuberg, 1998Based on data from 288. - 323. K.; AC
95. ± 4.308.MEMcEachern, Iniguez, et al., 1975Based on data from 288. - 323. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
22.83379.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
0.06354.Domalski and Hearing, 1996CAL
60.12379.7

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
354.16crystaline, IIcrystaline, ISteele, Chirico, et al., 1986DH
379.742crystaline, IliquidSteele, Chirico, et al., 1986DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.02079354.0crystaline, IIcrystaline, ISteele, Chirico, et al., 1989Extrapolated value.; DH
22.831379.74crystaline, IliquidSteele, Chirico, et al., 1989DH
0.02079354.0crystaline, IIcrystaline, ISteele, Chirico, et al., 1988Extrapolated value.; DH
22.831379.74crystaline, IliquidSteele, Chirico, et al., 1988DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.059354.0crystaline, IIcrystaline, ISteele, Chirico, et al., 1989Extrapolated; DH
60.12379.74crystaline, IliquidSteele, Chirico, et al., 1989DH
0.059354.0crystaline, IIcrystaline, ISteele, Chirico, et al., 1988Extrapolated; DH
60.12379.74crystaline, IliquidSteele, Chirico, et al., 1988DH

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C13H9N+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.31 ± 0.02PEHush, Cheung, et al., 1975LLK
8.4 ± 0.1CTSFarrell and Newton, 1966RDSH

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118684

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.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Wiesner, Figdor, et al., 1952
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 644
Instrument n.i.g.
Melting point 107.4
Boiling point 349

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Steele, Chirico, et al., 1989
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E., The thermodynamic properties of the five benzoquinolines, J. Chem. Thermodyn., 1989, 21, 81-107. [all data]

Steele, Chirico, et al., 1988
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A., The thermodynamic properties of the five benzoquinolines, NIPER Report, 1988, 337, 59p. [all data]

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]

Cumper, Ginman, et al., 1962
Cumper, C.W.N.; Ginman, R.F.A.; Vogel, A.I., Physical properties and chemical constitution. The electric dipole moments of phenyl derivatives of some n-heterocyclic molecules, J. Chem. Soc., 1962, 1962, 4518. [all data]

Taylor and Kalenda, 1954
Taylor, E.C.; Kalenda, N.W., Improved phenanthridine syntheses with poly-phosphoric acid., J. Am. Chem. Soc., 1954, 76, 1699. [all data]

Taylor and Martin, 1952
Taylor, E.C.; Martin, A.E., A new synthesis of phenanthridine., J. Am. Chem. Soc., 1952, 74, 6295. [all data]

Pictet, 1905
Pictet, A., The Pyrogenic Transformation of Methylpyrroles to Pyridine Derivatives, Ber. Dtsch. Chem. Ges., 1905, 38, 1946. [all data]

Steele, Chirico, et al., 1989, 2
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Smith, N.K.; Gammon, B.E., The thermodynamic properties of the five benzoquinolines, J. Chem. Thermodyn., 1989, 21, 81. [all data]

Steele, Chirico, et al., 1988, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Smith, N.K., , Report, NIPPR-395, 1988. [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]

Oja and Suuberg, 1998
Oja, Vahur; Suuberg, Eric M., Vapor Pressures and Enthalpies of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Derivatives, J. Chem. Eng. Data, 1998, 43, 3, 486-492, https://doi.org/10.1021/je970222l . [all data]

McEachern, Iniguez, et al., 1975
McEachern, D.M.; Iniguez, J.C.; Ornelas, H.C., Enthalpies of combustion and sublimation and vapor pressures of three benzoquinolines, J. Chem. Eng. Data, 1975, 20, 226-228. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R., Binding energies of «pi»- and "lone pair"-levels in mono- and diaza-phenanthrenes and anthracenes: an He(I) photoelectron spectroscopic study, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 385. [all data]

Farrell and Newton, 1966
Farrell, P.G.; Newton, J., Ionization potentials of primary aromatic amines and aza-hydrocarbons, Tetrahedron Lett., 1966, 5517. [all data]

Wiesner, Figdor, et al., 1952
Wiesner, K.; Figdor, S.K.; Bartlett, M.F.; Henderson, D.R., Garryha alkaloids. I. The structure of garryine and veatchine, Can. J. Chem., 1952, 30, 608-626. [all data]


Notes

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