Perylene

Formula: C₂₀H₁₂
Molecular weight: 252.3093
IUPAC Standard InChI: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
IUPAC Standard InChIKey: CSHWQDPOILHKBI-UHFFFAOYSA-N
CAS Registry Number: 198-55-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- Perylene-D12
Other names: Peri-Dinaphthalene; Dibenz[de,kl]anthracene; Perilene; α-Perylene
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Other data available:
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- NIST Polycyclic Aromatic Hydrocarbon Structure Index
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Gas phase thermochemistry data

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Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	76.08 ± 0.88	kcal/mol	Review	Roux, Temprado, et al., 2008	There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
11.36	50.	Dorofeeva O.V., 1988	Recommended 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].; GT
19.18	100.
28.671	150.
39.240	200.
55.516	273.15
61.05 ± 0.60	298.15
61.456	300.
82.048	400.
99.168	500.
112.83	600.
123.71	700.
132.49	800.
139.66	900.
145.61	1000.
150.58	1100.
154.76	1200.
158.32	1300.
161.35	1400.
163.95	1500.

Reaction thermochemistry data

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Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C₂₀H₁₂⁺ + Perylene = (C₂₀H₁₂⁺ • )

By formula: C₂₀H₁₂⁺ + C₂₀H₁₂ = (C₂₀H₁₂⁺ • C₂₀H₁₂)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.7	kcal/mol	PHPMS	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/mol*K	N/A	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.3	406.	PHPMS	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated

C₂₀H₁₃⁺ + Perylene = (C₂₀H₁₃⁺ • )

By formula: C₂₀H₁₃⁺ + C₂₀H₁₂ = (C₂₀H₁₃⁺ • C₂₀H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.1	kcal/mol	PHPMS	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.	cal/mol*K	N/A	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
7.2	424.	PHPMS	Meot-Ner (Mautner), 1980	gas phase; Entropy change calculated or estimated

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

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
Capillary	SE-30	240.	2783.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	240.	2783.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	240.	2797.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	260.	2829.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	260.	2832.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	260.	2849.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	SE-30	260.	2850.	Pozhidaev, Berezkin, et al., 1988	He; Column length: 17.5 m; Column diameter: 0.21 mm
Capillary	OV-101	270.	2846.	Grimmer and Böhnke, 1972	N2; 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
Capillary	SE-52	2837.2	Pozhidaev, Berezkin, et al., 1988	He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; T_start: 100. C; T_end: 280. C
Capillary	SE-52	2800.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2791.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2795.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2795.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2795.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2795.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2815.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2815.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2815.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2815.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2825.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2828.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2832.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2837.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2847.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2848.	Beernaert, 1979	He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; T_end: 320. C
Capillary	SE-52	2812.49	Lee, Vassilaros, et al., 1979	12. m/0.3 mm/0.34 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	SE-52	2815.42	Lee, Vassilaros, et al., 1979	12. m/0.28 mm/0.17 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	SE-52	2800.	Carugno and Rossi, 1967	N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; T_start: 100. C; T_end: 300. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	2781.	Oda, Ichikawa, et al., 1996	Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Ultra-1	2852.	Elizalde-González, Hutfliess, et al., 1996	50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; T_start: 60. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	OV-1	2814.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Lee's RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference
Packed	Methyl Silicone	200.	454.9	Shlyakhov, 1984
Packed	Methyl Silicone	260.	457.5	Shlyakhov, 1984
Packed	Methyl Silicone	270.	456.8	Shlyakhov, 1984
Packed	Methyl Silicone	300.	457.7	Shlyakhov, 1984

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

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	456.22	Skrbic and Onjia, 2006	2. K/min; T_start: 50. C; T_end: 250. C
Capillary	5 % Phenyl methyl siloxane	456.30	Skrbic and Onjia, 2006	80. C @ 2. min, 8. K/min, 300. C @ 10. min
Capillary	HP-5	457.93	Pedersen, Durant, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Capillary	HP-5	457.63	Marynowski, Pieta, et al., 2004	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-5MS	457.02	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T_end: 310. C
Capillary	HP-5	455.95	Piao, Chu, et al., 1999	30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
Capillary	HP-5	456.17	Piao, Chu, et al., 1999	30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min
Capillary	DB-5	452.0	Durlak, Biswas, et al., 1998	30. m/0.25 mm/0.25 μm, 15. K/min; T_start: 50. C; T_end: 300. C
Capillary	SE-54	457.17	Chen, 1996	4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 300. C
Capillary	SE-52	458.36	Shaogang and Xiaobai, 1994	40. C @ 2. min, 4. K/min, 300. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	SE-54	458.21	Guillén, Blanco, et al., 1989	20. m/0.22 mm/0.20 μm, He, 4. K/min; T_start: 50. C; T_end: 300. C
Capillary	SE-52	456.59	Hasegawa, Muragishi, et al., 1988	3. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 130. C; T_end: 260. C
Capillary	DB-5	457.63	Wise, Benner, et al., 1988	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	DB-5	451.27	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Packed	Methyl Silicone	454.6	Shlyakhov, 1984	2. K/min; T_start: 100. C; T_end: 275. C
Capillary	SE-52	457.17	Vassilaros, Kong, et al., 1982	20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; T_end: 265. C
Capillary	SE-52	456.22	Lee, Vassilaros, et al., 1979	12. m/0.3 mm/0.34 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	457.98	Wang, Li, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min)
Capillary	HP-5MS	457.17	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	HP-5MS	457.63	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	HP-5MS	457.98	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	5 % Phenyl methyl siloxane	457.50	Skrbic and Onjia, 2006	Program: 70 0C (2 min) 30 0C/min -> 150 0C 5 0C/min -> 200 0C 4 0C/min -> 310 0C (5 min)
Capillary	LM-5	454.11	Ré-Poppi and Santiago-Silva, 2005	30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
Capillary	Ultra-1	456.2	Sremac, Skrbic, et al., 2005	50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
Capillary	Ultra-1	456.3	Sremac, Skrbic, et al., 2005	50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
Capillary	Ultra-1	457.5	Sremac, Skrbic, et al., 2005	50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
Capillary	DB-5	456.3	Lundstedt, Haglund, et al., 2003	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	LM-5	454.50	Ré-Poppi and Santiago-Silva, 2002	30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
Capillary	SE-54	456.22	Chen, 1996	Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	SE-52	457.17	Shaogang and Xiaobai, 1994	Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
Capillary	SE-54	455.59	Guillen, Iglesias, et al., 1992	Program: not specified
Capillary	DB-5	457.45	Takada, Onda, et al., 1990	He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
Capillary	DB-5	456.22	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-5	456.25	Naikwadi, Charbonneau, et al., 1987	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-101	459.6	Tucminen, Wickstrom, et al., 1986	Program: not specified
Capillary	SE-52	453.62	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	456.22	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	457.98	Shlyakhov, 1984	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, Notes

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [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]

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]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [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]

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]

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]

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]

Oda, Ichikawa, et al., 1996
Oda, J.; Ichikawa, S.; Mori, T., Analysis of polycyclic aromatic hydrocarbons in airborne particulates by capillary GC/MS method with programmed temperature relative retention index, Bunseki Kagaku, 1996, 45, 9, 825-835, https://doi.org/10.2116/bunsekikagaku.45.825 . [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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

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

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]

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]

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]

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]

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]

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]

Vassilaros, Kong, et al., 1982
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Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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