Benzo[a]pyrene

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
48.1350.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, Moiseeva N.F., 1989]). These functions are reproduced in the reference book [ Frenkel M., 1994].
79.62100.
118.83150.
163.13200.
231.57273.15
254.8 ± 2.0298.15
256.52300.
342.95400.
414.73500.
471.96600.
517.53700.
554.27800.
584.31900.
609.181000.
629.981100.
647.511200.
662.381300.
675.071400.
685.971500.

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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:
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
Tboil768.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus450. ± 4.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap117.8 ± 1.0kJ/molCGCHanshaw, Nutt, et al., 2008AC
Δvap105.0 ± 1.5kJ/molGCHaftka, Parsons, et al., 2006Based on data from 463. to 523. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
583. to 585.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
91.398.GCLei, Chankalal, et al., 2002Based on data from 323. to 473. K.; AC
95.5398.GCHinckley, Bidleman, et al., 1990Based on data from 343. to 453. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
122.5383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
118.3373.MEStephenson and Malanowski, 1987Based on data from 358. to 431. K. See also Murray, Pottie, et al., 1974.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
14.7451.8DSCKestens, Auclair, et al., 2010AC
17.32454.2N/AAcree, 1991AC

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, Gas phase thermochemistry data, Phase change data, 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 evaluated as indicated in comments:
L - Sharon G. Lias

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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)7.12 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.815 ± 0.043IMRECrocker, Wang, et al., 1993ΔGea(420 K) = -18.2 kcal/mol; ΔSea (estimated) = -1.5 eu (anthracene, Chowdhury, Heinis, et al., 1986); B
0.6800 ± 0.0080ECDBecker and Chen, 1966B

Ionization energy determinations

IE (eV) Method Reference Comment
7.10PEClar and Schmidt, 1979LLK
7.12PEAkiyama, Li, et al., 1979LLK
7.12 ± 0.01PEBoschi, Murrell, et al., 1972LLK
7.73CTSBriegleb, 1964RDSH
7.56CTSBirks and Stifkin, 1961RDSH
7.60CTSMatsen, 1956RDSH
7.41PEClar and Schmidt, 1976Vertical value; LLK
7.39 ± 0.01PEDewar and Goodman, 1972Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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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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- 118
NIST MS number 229814

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30240.2763.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30240.2764.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30240.2778.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2809.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2813.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2817.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2828.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
PackedOV-101250.2822.Rudenko, Bulychova, et al., 1984N2; Column length: 3. m
CapillaryOV-101270.2828.Grimmer and Böhnke, 1972N2; Column length: 50. m; Column diameter: 0.50 mm

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

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Column type Active phase I Reference Comment
CapillarySE-522809.2Pozhidaev, Berezkin, et al., 1988He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C
CapillarySE-522778.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522766.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522769.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522769.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522769.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522769.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522790.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522790.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522790.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522790.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522800.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522800.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522800.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522812.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522823.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522824.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522773.Carugno and Rossi, 1967N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C
CapillarySE-522760.Carugno and Rossi, 1967N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-12798.Dimitriou-Christidis, Harris, et al., 200330. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-52838.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52839.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52849.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52849.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryUltra-12830.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C

Lee's RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedMethyl Silicone200.453.4Shlyakhov, 1984 
PackedMethyl Silicone260.454.7Shlyakhov, 1984 
PackedMethyl Silicone270.453.9Shlyakhov, 1984 
PackedMethyl Silicone300.455.4Shlyakhov, 1984 

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPE-5453.7Jamoussi, Kanzari, et al., 200720. m/0.18 mm/0.18 μm, 50. C @ 1.5 min, 8. K/min; Tend: 345. C
Capillary5 % Phenyl methyl siloxane453.44Skrbic and Onjia, 20062. K/min; Tstart: 50. C; Tend: 250. C
Capillary5 % Phenyl methyl siloxane453.40Skrbic and Onjia, 200680. C @ 2. min, 8. K/min, 300. C @ 10. min
CapillaryHP-5454.87Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillaryHP-5454.57Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5MS454.06Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryPTE-5451.88Wang, Jia, et al., 200030. m/0.25 mm/0.25 μm, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min
CapillaryHP-5446.90Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5446.94Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.00Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.05Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.06Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.13Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.44Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5447.45Miao and Wu, 199950. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-5452.99Piao, Chu, et al., 199930. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
CapillaryHP-5453.05Piao, Chu, et al., 199930. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
CapillarySE-54454.18Chen, 19964. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-5454.02Williams and Horne, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C
CapillarySE-52455.41Shaogang and Xiaobai, 199440. C @ 2. min, 4. K/min, 300. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryDB-5440.3Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min
CapillarySPB-5455.8Knobloch and Engewald, 199340. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C
CapillaryCP Sil 8 CB451.0Aceves and Grimalt, 199225. m/0.25 mm/0.13 μm, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-5454.5Aceves and Grimalt, 199225. m/0.2 mm/0.11 μm, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillarySE-52456.4Aceves and Grimalt, 199225. m/0.32 mm/0.125 μm, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillarySE-54454.3Aceves and Grimalt, 199225. m/0.32 mm/0.125 μm, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-5452.3Aceves and Grimalt, 199230. m/0.25 mm/0.2 μm, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillarySE-54454.55Guillén, Blanco, et al., 198920. m/0.22 mm/0.20 μm, He, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillarySE-52453.62Hasegawa, Muragishi, et al., 19883. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 130. C; Tend: 260. C
CapillaryDB-5453.36Sye, Lin, et al., 198830. m/0.32 mm/0.25 μm, 80. C @ 1. min, 3. K/min; Tend: 290. C
CapillaryDB-5454.57Wise, Benner, et al., 198830. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryDB-5448.69Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillaryDB-5453.4Quilliam, Lant, et al., 198530. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C
CapillaryDB-5454.42Tong, Centen, et al., 1985He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C
PackedMethyl Silicone451.2Shlyakhov, 19842. K/min; Tstart: 100. C; Tend: 275. C
CapillarySE-52454.02Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52453.44Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 μm, 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-5440.7Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryHP-5MS455.14Wang, Li, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min)
CapillaryHP-5MS454.02Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-5MS454.57Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-5MS455.14Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary5 % Phenyl methyl siloxane454.30Skrbic and Onjia, 2006Program: 70 0C (2 min) 30 0C/min -> 150 0C 5 0C/min -> 200 0C 4 0C/min -> 310 0C (5 min)
CapillaryDB-5MS446.2Aracil, Font, et al., 2005Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
CapillaryLM-5451.34Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryLM-5451.59Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryUltra-1453.4Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1453.4Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1453.4Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryDB-5453.4Lundstedt, Haglund, et al., 200330. m/0.25 mm/0.25 μm; Program: not specified
CapillaryLM-5451.59Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillaryLM-5451.92Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillaryDB-5454.75Zamperlini, Silva, et al., 199730. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
CapillaryDB-5455.33Zamperlini, Silva, et al., 199730. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
CapillarySE-54453.44Chen, 1996Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillarySE-52454.02Shaogang and Xiaobai, 1994Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryCP Sil 8 CB453.74Bemgard, Colmsjo, et al., 1992Column length: 25. m; Column diameter: 0.32 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C
CapillaryXTI-5454.38Bemgard, Colmsjo, et al., 1992Column length: 15. m; Column diameter: 0.28 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C
CapillarySE-54452.95Guillen, Iglesias, et al., 1992Program: not specified
CapillaryDB-5454.33Takada, Onda, et al., 1990He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
CapillaryOV-101451.8Tucminen, Wickstrom, et al., 1986Program: not specified
CapillaryDB-5453.22Tong, Centen, et al., 1985He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillarySE-52441.53Shlyakhov, 1984Program: not specified
CapillarySE-52451.08Shlyakhov, 1984Program: not specified
CapillarySE-52452.46Shlyakhov, 1984Program: not specified
CapillarySE-52452.56Shlyakhov, 1984Program: not specified
CapillarySE-52453.05Shlyakhov, 1984Program: not specified
CapillarySE-52453.15Shlyakhov, 1984Program: not specified
CapillarySE-52453.44Shlyakhov, 1984Program: not specified
CapillarySE-52454.41Shlyakhov, 1984Program: not specified

References

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

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]

Moiseeva N.F., 1989
Moiseeva N.F., Development of Benson group additivity method for estimation of ideal gas thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1989, 153, 77-85. [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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Hanshaw, Nutt, et al., 2008
Hanshaw, William; Nutt, Marjorie; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons, J. Chem. Eng. Data, 2008, 53, 8, 1903-1913, https://doi.org/10.1021/je800300x . [all data]

Haftka, Parsons, et al., 2006
Haftka, Joris J.H.; Parsons, John R.; Govers, Harrie A.J., Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography, Journal of Chromatography A, 2006, 1135, 1, 91-100, https://doi.org/10.1016/j.chroma.2006.09.050 . [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]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [all data]

Hinckley, Bidleman, et al., 1990
Hinckley, Daniel A.; Bidleman, Terry F.; Foreman, William T.; Tuschall, Jack R., Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatograhic retention data, J. Chem. Eng. Data, 1990, 35, 3, 232-237, https://doi.org/10.1021/je00061a003 . [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [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]

Murray, Pottie, et al., 1974
Murray, John James; Pottie, Roswell Francis; Pupp, Christian, The Vapor Pressures and Enthalpies of Sublimation of Five Polycyclic Aromatic Hydrocarbons, Can. J. Chem., 1974, 52, 4, 557-563, https://doi.org/10.1139/v74-087 . [all data]

Kestens, Auclair, et al., 2010
Kestens, Vikram; Auclair, Guy; Drozdzewska, Katarzyna; Held, Andrea; Roebben, Gert; Linsinger, Thomas, Thermodynamic property values of selected polycyclic aromatic hydrocarbons measured by differential scanning calorimetry, J Therm Anal Calorim, 2010, 99, 1, 245-261, https://doi.org/10.1007/s10973-009-0440-6 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Crocker, Wang, et al., 1993
Crocker, L.; Wang, T.B.; Kebarle, P., Electron Affinities of Some Polycyclic Aromatic Hydrocarbons, Obtained from Electron-Transfer Equilibria, J. Am. Chem. Soc., 1993, 115, 17, 7818, https://doi.org/10.1021/ja00070a030 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Becker and Chen, 1966
Becker, R.S.; Chen, E., Extension of Electron Affinities and Ionization Potentials of Aromatic Hydrocarbons, J. Chem. Phys., 1966, 45, 7, 2403, https://doi.org/10.1063/1.1727954 . [all data]

Clar and Schmidt, 1979
Clar, E.; Schmidt, W., Correlations between photoelectron and UV absorption spectra of polycyclic hydrocarbons. The pyrene series, Tetrahedron, 1979, 35, 1027. [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]

Boschi, Murrell, et al., 1972
Boschi, R.; Murrell, J.N.; Schmidt, W., Photoelectron spectra of polycyclic aromatic hydrocarbons, Faraday Discuss. Chem. Soc., 1972, 54, 116. [all data]

Briegleb, 1964
Briegleb, G., Electron affinity of organic molecules, Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]

Birks and Stifkin, 1961
Birks, J.B.; Stifkin, M.A., π-Electronic excitation and ionization energies of condensed ring aromatic hydrocarbons, Nature, 1961, 191, 761. [all data]

Matsen, 1956
Matsen, F.A., Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons, J. Chem. Phys., 1956, 24, 602. [all data]

Clar and Schmidt, 1976
Clar, E.; Schmidt, W., Correlations between photoelectron and phosphorescence spectra of polycyclic hydrocarbons, Tetrahedron, 1976, 32, 2563. [all data]

Dewar and Goodman, 1972
Dewar, M.J.S.; Goodman, D.W., Photoelectron spectra of molecules. Part 5.--Polycyclic aromatic hydrocarbons, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1784. [all data]

Pozhidaev, Berezkin, et al., 1988
Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 1988, 43, 1082-1088. [all data]

Rudenko, Bulychova, et al., 1984
Rudenko, B.A.; Bulychova, Z.Yu.; Topunov, V.N.; Itsikson, L.B., Regularities in changes of retention indices for polycyclic aromatic hydrocarbons depending on their structure and polarity of stationary phase, Zh. Anal. Khim., 1984, 39, 4, 700-706. [all data]

Grimmer and Böhnke, 1972
Grimmer, G.; Böhnke, H., Bestimmung des Gesamtgehaltes aller polycyclischen aromatischen Kohlenwasserstoffe in Luftstaub und Kraftfahrzeugabgas mit der Capillar-Gas-Chromatographie, Z. Anal. Chem., 1972, 261, 4-5, 310-314, https://doi.org/10.1007/BF00786987 . [all data]

Beernaert, 1979
Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 1979, 173, 1, 109-118, https://doi.org/10.1016/S0021-9673(01)80450-7 . [all data]

Carugno and Rossi, 1967
Carugno, N.; Rossi, S., Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columns, J. Gas Chromatogr., 1967, 5, 2, 103-106, https://doi.org/10.1093/chromsci/5.2.103 . [all data]

Dimitriou-Christidis, Harris, et al., 2003
Dimitriou-Christidis, P.; Harris, B.C.; McDonald, T.J.; Reese, E.; Autenrieth, R.L., Estimation of selected physicochemical properties for methylated naphthalene compounds, Chemosphere, 2003, 52, 5, 869-881, https://doi.org/10.1016/S0045-6535(03)00288-1 . [all data]

Miao and Wu, 1999
Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 1999, 15, 4, 288-292. [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]

Shlyakhov, 1984
Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]

Jamoussi, Kanzari, et al., 2007
Jamoussi, B.; Kanzari, F.; Hassine, B.B.; Abderrabba, A., Using Bezier curves for the calculation of retention indices of polycyclic aromatic hydrocarbons in the so-called Lee's scale in temperature-programmed gas chromatography with mass spectrometry detection, J. Chromatogr. Sci., 2007, 45, 1, 22-27, https://doi.org/10.1093/chromsci/45.1.22 . [all data]

Skrbic and Onjia, 2006
Skrbic, B.; Onjia, A., Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks, J. Chromatorg. A, 2006, 1108, 2, 279-284, https://doi.org/10.1016/j.chroma.2006.01.080 . [all data]

Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c . [all data]

Marynowski, Pieta, et al., 2004
Marynowski, L.; Pieta, M.; Janeczek, J., Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland, Geol. Q., 2004, 48, 2, 169-180. [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Wang, Jia, et al., 2000
Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K., Characterization of polycyclic aromatic hydrocarbons created in lubricating oils, Water Air Soil Poll., 2000, 120, 3/4, 381-396, https://doi.org/10.1023/A:1005251618062 . [all data]

Piao, Chu, et al., 1999
Piao, M.; Chu, S.; Zheng, M.; Xu, X., Characterization of the combustion products of polyethylene, Chemosphere, 1999, 39, 9, 1497-1512, https://doi.org/10.1016/S0045-6535(99)00054-5 . [all data]

Chen, 1996
Chen, J., GC and GC/MS methods for the analysis of polycyclic aromatic hydrocarbon (PAH) in sediment of the grand canal of China, Toxicol. Environ. Chem., 1996, 54, 1-4, 69-73, https://doi.org/10.1080/02772249609358297 . [all data]

Williams and Horne, 1995
Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H . [all data]

Shaogang and Xiaobai, 1994
Shaogang, C.; Xiaobai, X., System for calculating the linear temperature-programmed retention indices of polycylic aromatic compounds, J. Hi. Res. Chromatogr., 1994, 17, 5, 339-342, https://doi.org/10.1002/jhrc.1240170511 . [all data]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W., Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves, J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407 . [all data]

Aceves and Grimalt, 1992
Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 1992, 607, 2, 261-270, https://doi.org/10.1016/0021-9673(92)87084-L . [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]

Sye, Lin, et al., 1988
Sye, W.-F.; Lin, C.-L.; Yen, D.-P.; Tsai, C.-S., Polycyclic aromatic-hydrocarbons formation from luel and additives combustion, J. Chinese Chem. Soc., 1988, 35, 1, 1-11. [all data]

Wise, Benner, et al., 1988
Wise, S.A.; Benner, B.A.; Byrd, G.D.; Chesler, S.N.; Rebbert, R.E.; Schantz, M.M., Determination of polycyclic aromatic hydrocarbons in a coal tar standard reference material, Anal. Chem., 1988, 60, 9, 887-894, https://doi.org/10.1021/ac00160a012 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Quilliam, Lant, et al., 1985
Quilliam, M.A.; Lant, M.S.; Kaiser-Farrell, C.; McCalla, D.R.; Sheldrake, C.P.; Kerr, A.A.; Lockington, J.N.; Gibson, E.S., Identification of polycyclic aromatic compounds in of poly-mutagenic emissions from steel casting, Biomed. Mass Spectrom., 1985, 12, 4, 143-150, https://doi.org/10.1002/bms.1200120402 . [all data]

Tong, Centen, et al., 1985
Tong, H.Y.; Centen, J.D.; Karasek, F.W.; Jellum, E.; Helland, P., Identification of Trace Organic Compounds in Dimethyl Sulphoxide Solution Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1985, 324, 373-383, https://doi.org/10.1016/S0021-9673(01)81336-4 . [all data]

Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1 . [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]

Wang, Li, et al., 2007
Wang, Z.; Li, K.; Lambert, P.; Yang, C., Identification, characterization and quantitation of pyrogenic polycylic aromatic hydrocarbons and other organic compounds in tire fire products, J. Chromatogr. A, 2007, 1139, 1, 14-26, https://doi.org/10.1016/j.chroma.2006.10.085 . [all data]

Wang, Li, et al., 2007, 2
Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P., Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85. [all data]

Aracil, Font, et al., 2005
Aracil, I.; Font, R.; Conesa, J.A., Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride, J. Anal. Appl. Pyrolysis, 2005, 74, 1-2, 465-478, https://doi.org/10.1016/j.jaap.2004.09.008 . [all data]

Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M., Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil, Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006 . [all data]

Sremac, Skrbic, et al., 2005
Sremac, S.; Skrbic, B.; Onjia, A., Artificial neural network prediction of quantitative structure-retention relationships of polycyclic aromatic hydrocarbons in gas chromatography, J. Serb. Chem. Soc., 2005, 70, 11, 1291-1300, https://doi.org/10.2298/JSC0511291S . [all data]

Lundstedt, Haglund, et al., 2003
Lundstedt, S.; Haglund, P.; Öberg, L., Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil, Environ. Toxicol. Chem., 2003, 22, 7, 1413-1420, https://doi.org/10.1002/etc.5620220701 . [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]

Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527 . [all data]

Bemgard, Colmsjo, et al., 1992
Bemgard, A.; Colmsjo, A.; Lundmark, B.-O., Gas chromatographic analysis of high-molecular-weight polynuclear aromatic hydrocarbons. I. Molecular weight 328, J. Chromatogr., 1992, 595, 1-2, 247-258, https://doi.org/10.1016/0021-9673(92)85167-R . [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]

Takada, Onda, et al., 1990
Takada, H.; Onda, T.; Ogura, N., Determination of polycyclic aromatic hydrocarbons in urban street dusts and their source materials by capillary gas chromatography, Environ. Sci. Technol., 1990, 24, 8, 1179-1186, https://doi.org/10.1021/es00078a005 . [all data]

Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H., Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813 . [all data]


Notes

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