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Phenanthrene, 9,10-dihydro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas37.07 ± 0.38kcal/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; ALS
Deltafgas36.96 ± 0.38kcal/molCcbShaw, David, et al., 1977Unpublished W.D.Good; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.8250.Dorofeeva O.V., 1988Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994].; GT
16.21100.
22.65150.
30.079200.
42.089273.15
46.30 ± 0.24298.15
46.611300.
62.679400.
76.346500.
87.424600.
96.377700.
103.70800.
109.76900.
114.831000.
119.111100.
122.731200.
125.831300.
128.481400.
130.761500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
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
Deltafsolid15.8 ± 0.29kcal/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1742.45 ± 0.24kcal/molCcbLee-Bechtold, Hossenlopp, et al., 1979Hfusion=12.79 kJ/mol; Corresponding «DELTA»fsolid = 15.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar54.802cal/mol*KN/AChirico, Hossenloop, et al., 1987DH
solid,1 bar54.83cal/mol*KN/ALee-Bechtold, Hossenlopp, et al., 1979DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
58.098298.15Chirico, Hossenloop, et al., 1987T = 10 to 350 K.; DH
58.27298.15Lee-Bechtold, Hossenlopp, et al., 1979T = 10 to 350 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus308.KN/AAnonymous, 1969Uncertainty assigned by TRC = 3. K; TRC
Tfus370.KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Tfus370.KN/APadoa, 1919Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple306.51KN/AChirico, Gammon, et al., 1994Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple306.5200KN/ALee-Bechtold, Hossenlopp, et al., 1979, 2Uncertainty assigned by TRC = 0.002 K; by extraplation of 1/f to zero; TRC
Ttriple306.52KN/ALee-Bechtold, Hossenlopp, et al., 1979, 2Uncertainty assigned by TRC = 0.02 K; by extraplation of 1/f to zero; TRC
Quantity Value Units Method Reference Comment
Deltavap18.3 ± 0.02kcal/molIPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. - 418. K.; AC
Quantity Value Units Method Reference Comment
Deltasub21.2kcal/molN/ALee-Bechtold, Hossenlopp, et al., 1979DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
441.70.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.3432.AStephenson and Malanowski, 1987Based on data from 417. - 453. K.; AC
17.3 ± 0.1340.IPLee-Bechtold, Hossenlopp, et al., 1979Based on data from 353. - 418. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.0569306.52N/ALee-Bechtold, Hossenlopp, et al., 1979DH
3.06306.5ACDomalski and Hearing, 1996See also Lee-Bechtold, Hossenlopp, et al., 1979.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.974306.52Lee-Bechtold, Hossenlopp, et al., 1979DH

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:


Reaction thermochemistry data

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), Gas Chromatography, 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

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

Hydrogen + Phenanthrene = Phenanthrene, 9,10-dihydro-

By formula: H2 + C14H10 = C14H12

Quantity Value Units Method Reference Comment
Deltar-12.kcal/molEqkFrye, 1962gas phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
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 C14H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.55 ± 0.02PEMaier and Turner, 1972LLK
8.08 ± 0.06EIGrutzmacher and Lohmann, 1969RDSH
8.19PEAkiyama, Li, et al., 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C13H9+11.8 ± 0.1CH3EIRapp, Staab, et al., 1970RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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 118583

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.


Gas Chromatography

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, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1160.1666.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillarySE-30175.1668.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51689.3Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51688.6Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51673.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51689.8Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51699.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryOV-11685.4Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryOV-11700.3Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryDB-51673.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51689.8Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51699.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51689.3Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51688.6Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPolydimethyl siloxane183.1697.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryUltra-11664.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 «mu»m, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5286.8Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 «mu»m, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5287.0Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 «mu»m, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillarySE-54287.33Guillén, Blanco, et al., 198920. m/0.22 mm/0.20 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillarySE-52286.40Hasegawa, Muragishi, et al., 19883. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 130. C; Tend: 260. C
CapillarySE-52287.09Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5288.6Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryLM-5287.86Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillarySE-54286.22Guillen, Iglesias, et al., 1992Program: not specified
CapillarySE-52287.09Shlyakhov, 1984Program: not specified

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), Gas Chromatography, Notes

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

Lee-Bechtold, Hossenlopp, et al., 1979
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D., A comprehensive thermodynamic study of 9,10-dihydrophenanthrene, J. Chem. Thermodyn., 1979, 11, 469-482. [all data]

Shaw, David, et al., 1977
Shaw, R.G.; David, M.; Benson, S.W., Thermochemistry of some six-membered cyclic and polycyclic compounds related to coal, J. Phys. Chem., 1977, 81, 1716-1729. [all data]

Dorofeeva O.V., 1988
Dorofeeva O.V., Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1986, 102, 59-66. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Chirico, Hossenloop, et al., 1987
Chirico, R.D.; Hossenloop, I.A.; Nguyen, A.; Strube, M.M.; Steele, W.V., Thermodynamic studies related to the hydrogenation of phenanthrene, NIPER Report, 1987, 247, 107p. [all data]

Anonymous, 1969
Anonymous, R., Freon Fluorocarbons - properties and applications, E. I. Du Pont, Freon Product Information, B-2, 1969. [all data]

Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M., Some fusion and transition data for hydrocarbons, Ind. Eng. Chem., 1931, 23, 1138-9. [all data]

Padoa, 1919
Padoa, M., Atti Accad. Naz. Lincei, Cl. Sci. Fis., Mat. Nat., Rend., 1919, 28, 239. [all data]

Chirico, Gammon, et al., 1994
Chirico, R.D.; Gammon, B.E.; Hossenlopp, I.A.; Steele, W.V., Heat capacities of 1,2,3,4-tetrahydrophenanthrene at temp. between 5 K and 430 K and revised heat capacities of 9,10-dihydrophenanthrene beaween 10 K and 350 K, J. Chem. Thermodyn., 1994, 26, 469-81. [all data]

Lee-Bechtold, Hossenlopp, et al., 1979, 2
Lee-Bechtold, S.H.; Hossenlopp, I.A.; Scott, D.W.; Osborn, A.G.; Good, W.D., A Comprehensive Thermodynamic Study of 9,10-Dihydrophenanthrene, J. Chem. Thermodyn., 1979, 11, 469. [all data]

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]

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]

Frye, 1962
Frye, C.G., Equilibria in the hydrogenation of polycyclic aromatics, J. Chem. Eng. Data, 1962, 7, 592-595. [all data]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

Grutzmacher and Lohmann, 1969
Grutzmacher, H.-F.; Lohmann, J., Massenspektrometrie instabiler organischer Molekule. II.Nachweis von 9.10Dehydro-phenanthren durch Pyrolyse-Massenspektrometrie, Ann. Chem., 1969, 726, 47. [all data]

Akiyama, Li, et al., 1979
Akiyama, I.; Li, K.C.; LeBreton, P.R.; Fu, P.P.; Harvey, R.G., Ultraviolet photoelectron studies of polycyclic aromatic hydrocarbons. The ground-state electronic structure of aryloxiranes and metabolites of benzo[a]pyrene, J. Phys. Chem., 1979, 83, 2997. [all data]

Rapp, Staab, et al., 1970
Rapp, U.; Staab, H.A.; Wunsche, C., Skelettumlagerungen unter Elektronenbeschuss-IV: zur Struktur der C13H9- und C12H9N-Ionen bei Benzylidenaminobenztriazolen, Org. Mass Spectrom., 1970, 3, 45. [all data]

Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S., Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions, Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4 . [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Zhang, Shen, et al., 2000
Zhang, M.-J.; Shen, S.-D.; Chen, S.-Y.; Sun, Y.-H., Analysis of heavy oil fractions in high-temperature coal tar by capillary gas chromatography/fourier transform infrared spectrometry, Chin. J. Chromatogr., 2000, 18, 3, 241-246. [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Ferrand, 1962
Ferrand, R., Gas phase chromatography using retention indices for the analysis of tars and their hydrogenation products, Journees internationales d'etude des methodes de separation immediate at de chromatographie; Org. sur l'initiative du IX., 1962, 132-140. [all data]

Elizalde-González, Hutfliess, et al., 1996
Elizalde-González, M.P.; Hutfliess, M.; Hedden, K., Retention index system, adsorption characteristics, and sructure correlations of polycyclic aromatic hydrocarbons in fuels, J. Hi. Res. Chromatogr., 1996, 19, 6, 345-352, https://doi.org/10.1002/jhrc.1240190608 . [all data]

Durlak, Biswas, et al., 1998
Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J., Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion, Environ. Sci. Technol., 1998, 32, 15, 2301-2307, https://doi.org/10.1021/es9709031 . [all data]

Guillén, Blanco, et al., 1989
Guillén, M.D.; Blanco, J.; Bermejo, J.; Blanco, C.G., Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54, J. Hi. Res. Chromatogr., 1989, 12, 8, 552-554, https://doi.org/10.1002/jhrc.1240120816 . [all data]

Hasegawa, Muragishi, et al., 1988
Hasegawa, K.; Muragishi, T.; Usami, S., Component analysis of coal-derivated heavy oil. Analysis of carcinogenic components in neutral nonpolar fractions, Nippon Kagaku Kaishi, 1988, 3, 3, 311-320, https://doi.org/10.1246/nikkashi.1988.311 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]

Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I., Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants, J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004 . [all data]

Ré-Poppi and Santiago-Silva, 2002
Ré-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 2002, 55, 7/8, 475-481, https://doi.org/10.1007/BF02492280 . [all data]

Guillen, Iglesias, et al., 1992
Guillen, M.D.; Iglesias, M.J.; Dominguez, A.; Blanco, C.G., Polynuclear aromatic hydrocarbon retention indices on SE-54 stationary phase of the volatile components of a coal tar pitch. Relationships between chromatographic retention and thermal reactivity, J. Chromatogr., 1992, 591, 1-2, 287-295, https://doi.org/10.1016/0021-9673(92)80246-Q . [all data]

Shlyakhov, 1984
Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [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), Gas Chromatography, References