Triphenylene

Formula: C₁₈H₁₂
Molecular weight: 228.2879
IUPAC Standard InChI: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
IUPAC Standard InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
CAS Registry Number: 217-59-4
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.
Other names: Benzo[l]phenanthrene; Isochrysene; 1,2,3,4-Dibenznaphthalene; 9,10-Benzophenanthrene; 9,10-Benzphenanthrene
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes

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	270.1 ± 4.4	kJ/mol	Review	Roux, Temprado, et al., 2008	There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
48.55	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
79.65	100.
114.46	150.
153.60	200.
215.30	273.15
236.5 ± 2.0	298.15
238.10	300.
317.76	400.
384.32	500.
437.57	600.
480.13	700.
514.58	800.
542.86	900.
566.37	1000.
586.10	1100.
602.77	1200.
616.95	1300.
629.08	1400.
639.51	1500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
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
Δ_fH°_solid	150. ± 2.9	kJ/mol	Review	Roux, Temprado, et al., 2008	There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δ_fH°_solid	151.8 ± 1.5	kJ/mol	Ccb	Douslin, Scott, et al., 1976	crystal phase; see Good, 1978; ALS
Δ_fH°_solid	141.0 ± 0.46	kJ/mol	Ccr	Westrum and Wong, 1967	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-8950.0 ± 1.2	kJ/mol	Ccb	Douslin, Scott, et al., 1976	crystal phase; see Good, 1978; Corresponding Δ_fHº_solid = 151.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-8939.24 ± 0.46	kJ/mol	Ccr	Westrum and Wong, 1967	Corresponding Δ_fHº_solid = 141.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_solid	-8945.4 ± 2.2	kJ/mol	Ccb	Magnus, Hartmann, et al., 1951	Reanalyzed by Cox and Pilcher, 1970, Original value = -8945.9 ± 2.2 kJ/mol; Corresponding Δ_fHº_solid = 147.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	254.68	J/mol*K	N/A	Wong and Westrum, 1971	DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
259.20	298.15	Wong and Westrum, 1971	T = 5 to 514 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas Chromatography, References, Notes

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.
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
T_boil	711.2	K	N/A	Aldrich Chemical Company Inc., 1990	BS
Quantity	Value	Units	Method	Reference	Comment
T_fus	473.6	K	N/A	Casellato, Vecchi, et al., 1973	Uncertainty assigned by TRC = 0.4 K; TRC
T_fus	474.	K	N/A	Sangster and Irvine, 1956	Uncertainty assigned by TRC = 3. K; TRC
T_fus	468.	K	N/A	Blum-Bergmann, 1938	Uncertainty assigned by TRC = 3. K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	471.01	K	N/A	Wong and Westrum, 1971, 2	Uncertainty assigned by TRC = 0.01 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	106.1 ± 3.9	kJ/mol	CGC	Hanshaw, Nutt, et al., 2008	AC
Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	120.1 ± 3.3	kJ/mol	Review	Roux, Temprado, et al., 2008	There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δ_subH°	127. ± 4.	kJ/mol	V	Kruif, 1980	ALS
Δ_subH°	127. ± 4.	kJ/mol	TE,ME	Kruif, 1980	Based on data from 381. to 406. K.; AC
Δ_subH°	107.	kJ/mol	V	Wakayama and Inokuchi, 1967	ALS

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
88.5	398.	GC	Lei, Chankalal, et al., 2002	Based on data from 323. to 473. K.; AC
67.7	550.	N/A	Dykyj, Svoboda, et al., 1999	Based on data from 535. to 768. K.; AC

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Method	Reference	Comment
114.5	383.	GS	Nass, Lenoir, et al., 1995	Based on data from 313. to 453. K.; AC
107.6	378.	N/A	Stephenson and Malanowski, 1987	Based on data from 363. to 468. K.; AC
107.1	425.	ME	Wakayama and Inokuchi, 1967, 2	AC
118. ± 4.	368.	N/A	Hoyer and Peperle, 1958	Based on data from 338. to 398. K. See also Cox and Pilcher, 1970, 2.; AC
118.0 ± 4.2	338.	V	Hoyer and Peperle, 1958, 2	Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 115. kJ/mol; ALS
110.	293.	V	Magnus, Hartmann, et al., 1951	ALS

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Method	Reference	Comment
24.190	471.06	N/A	Sabbah and El Watik, 1992	DH
24.744	471.01	N/A	Wong and Westrum, 1971	DH
23.0	471.2	DSC	Kestens, Auclair, et al., 2010	AC
24.74	471.	N/A	Domalski and Hearing, 1996	AC

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
52.53	471.01	Wong and Westrum, 1971	DH

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 Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes

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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SE-52	2395.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	2401.	Oda, Ichikawa, et al., 1996	Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	2411.	Oda, Yasuhara, et al., 1998	25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C

Lee's RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference
Packed	Methyl Silicone	200.	399.40	Shlyakhov, 1984
Packed	Methyl Silicone	235.	399.56	Shlyakhov, 1984
Packed	Methyl Silicone	260.	399.71	Shlyakhov, 1984
Packed	Methyl Silicone	300.	399.57	Shlyakhov, 1984

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	400.00	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	400.	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	HP-5 MS	400.00	zu Reckendorf, 2003	25. m/0.25 mm/0.33 μm, 5. K/min; T_start: 70. C; T_end: 320. C
Capillary	DB-5MS	399.94	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	400.	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	400.	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	SE-52	400.00	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	400.0	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	399.75	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Capillary	DB-5	399.6	Quilliam, Lant, et al., 1985	30. m/0.32 mm/0.1 μm, He, 10. K/min; T_start: 60. C; T_end: 290. C
Packed	Methyl Silicone	399.64	Shlyakhov, 1984	2. K/min; T_start: 100. C; T_end: 275. C
Capillary	SE-52	400.00	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	400.00	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	400.	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	400.00	Wang, Li, et al., 2007, 2	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	LM-5	399.84	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	HP-5 MS	400.1	Brack and Schirmer, 2003	30. m/0.25 mm/0.25 μm, Helium; Program: 70 0C 7 0C/min -> 280 0C (2 min) 7 0C/min -> 300 0C (2 min)
Capillary	LM-5	399.98	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	LM-5	400.00	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	HP Ultra 2	400.	zu Reckendorf, 2000	25. m/0.20 mm/0.33 μm, Helium; Program: 60 0C (2 min) 4 0C/min -> 230 0C 3 0C/min -> 320 0C (6 min)
Capillary	HP-5	400.00	Reckendorf, 1997	25. m/0.2 mm/0.11 μm, He; Program: 106C(0.2min) => 40C/min => 120C => 3C/min => 310C(10min)
Capillary	DB-5	400.	Zamperlini, Silva, et al., 1997	30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
Capillary	DB-5	401.45	Zamperlini, Silva, et al., 1997	30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
Capillary	DB-5	400.	Takada, Onda, et al., 1990	He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
Capillary	OV-101	400.0	Tucminen, Wickstrom, et al., 1986	Program: not specified
Capillary	SE-52	398.78	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	397.36	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	399.63	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	400.00	Shlyakhov, 1984	Program: not specified
Capillary	SE-52	403.65	Shlyakhov, 1984	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Douslin, Scott, et al., 1976
Douslin, D.R.; Scott, D.W.; Good, W.D.; Osborn, A.G., Thermodynamic properties of organic compounds and thermodynamic properties of fluids, Gov. Rep. Announce. Index U.S., 1976, 76, 97. [all data]

Good, 1978
Good, W.D., The enthalpies of formation of some bridged-ring polynuclear aromatic hydrocarbons, J. Chem. Thermodyn., 1978, 10, 553-558. [all data]

Westrum and Wong, 1967
Westrum, E.F., Jr.; Wong, S., Strain energies and thermal properties of globular and polynuclear aromatic molecules, AEC Rept. Coo-1149-92, Contract AT(11-1)-1149, 1967, 1-7. [all data]

Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F., Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen, Z. Phys. Chem., 1951, 197, 75-91. [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]

Wong and Westrum, 1971
Wong, W-K.; Westrum, E.F., Jr., Thermodynamics of polynuclear aromatic molecules. I. Heat capacities and enthalpies of fusion of pyrene, flouranthene, and triphenylene, J. Chem. Thermodynam., 1971, 3, 105-124. [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]

Casellato, Vecchi, et al., 1973
Casellato, F.; Vecchi, C.; Girell, A., Differential calorimetric study of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1973, 6, 4, 361, https://doi.org/10.1016/0040-6031(73)87003-0 . [all data]

Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W., Study of Organic Scintillators, J. Chem. Phys., 1956, 24, 670. [all data]

Blum-Bergmann, 1938
Blum-Bergmann, O., J. Am. Chem. Soc., 1938, 60, 1999. [all data]

Wong and Westrum, 1971, 2
Wong, W.-K.; Westrum, E.F., Thermodynamics of Polynuclear Aromatic Molecules. 1. Heat Capacities and Enthalpies of Fusion of Pyrene, Fluoranthene, and Triphenylene, J. Chem. Thermodyn., 1971, 3, 105-24. [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]

Kruif, 1980
Kruif, C.G., Enthalpies of sublimation and vapour pressures of 11 polycyclic hydrocarbons, J. Chem. Thermodyn., 1980, 12, 243-248. [all data]

Wakayama and Inokuchi, 1967
Wakayama, N.; Inokuchi, H., Heats of sublimation of polycyclic aromatic hydrocarbons and their molecular packings, Bull. Chem. Soc. Jpn., 1967, 40, 2267. [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]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]

Wakayama and Inokuchi, 1967, 2
Wakayama, Nobuko; Inokuchi, Hiroo, Heats of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Molecular Packings, Bull. Chem. Soc. Jpn., 1967, 40, 10, 2267-2271, https://doi.org/10.1246/bcsj.40.2267 . [all data]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., New reference materials for the calibration (temperature and energy) of differential thermal analysers and scanning calorimeters, J. Therm. Anal., 1992, 38(4), 855-863. [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]

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]

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]

Oda, Yasuhara, et al., 1998
Oda, J.; Yasuhara, A.; Matsunaga, K.; Saito, Y., Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivatives, Jpn. J. Toxicol. Environ. Health, 1998, 44, 5, 334-351, https://doi.org/10.1248/jhs1956.44.334 . [all data]

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

zu Reckendorf, 2003
zu Reckendorf, R.M., Pattern change of several polycyclic aromatic furans and analogous thiophenes on oxidative pyrolysis of pitches in flue gases, and the relevance to their quantitative analysis, Chromatographia, 2003, 58, 1/2, 103-113. [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]

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
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Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T_boil	Boiling point
T_fus	Fusion (melting) point
T_triple	Triple point temperature
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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