Naphthalene, 1,3-dimethyl-

Formula: C₁₂H₁₂
Molecular weight: 156.2237
IUPAC Standard InChI: InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
IUPAC Standard InChIKey: QHJMFSMPSZREIF-UHFFFAOYSA-N
CAS Registry Number: 575-41-7
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: 1,3-Dimethylnaphthalene
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes

Data compiled by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
46.2	50.	Thermodynamics Research Center, 1997	p=1 bar.
74.6	100.
100.8	150.
128.2	200.
171.0	273.15
185.9	298.15
187.0	300.
243.5	400.
291.9	500.
331.6	600.
364.1	700.
391.1	800.
413.7	900.
432.8	1000.
449.	1100.
463.	1200.
475.	1300.
485.	1400.
494.	1500.

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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

Quantity	Value	Units	Method	Reference	Comment
T_boil	536.2	K	N/A	Weast and Grasselli, 1989	BS
T_boil	538.2	K	N/A	Evans and Smith, 1951	Uncertainty assigned by TRC = 0.3 K; TRC
T_boil	538.0	K	N/A	Kruber and Oberkobusch, 1951	Uncertainty assigned by TRC = 4. K; TRC
T_boil	536.	K	N/A	Bailey, Bryant, et al., 1947	Uncertainty assigned by TRC = 8. K; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Gas phase ion energetics data

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Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.86 ± 0.03	PE	Heilbronner, Hoshi, et al., 1976	Vertical value; LLK

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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	OV-1	150.	1414.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	1414.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	1415.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	160.	1423.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	SE-30	130.	1400.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	150.	1414.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	OV-1	130.	1402.	Engewald, Wennrich, et al., 1979	Column length: 50. m; Column diameter: 0.23 mm
Packed	SE-30	150.	1416.	Shlyakhov, Anvaer, et al., 1975

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1391.	Hayes and Pitzer, 1982	110. m/0.25 mm/0.20 μm, He, 1. K/min; T_start: 35. C; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1405.3	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	1416.5	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	1422.3	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	1405.3	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	1416.5	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	1422.3	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	Petrocol DH	1397.	White, Hackett, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	DB-5	1427.	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	OV-101	1391.	Hayes and Pitzer, 1981	108. m/0.25 mm/0.2 μm, 1. K/min; T_start: 35. C; T_end: 200. 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	HP-5	1415.4	Sandercock and du Pasquier, 2003	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 208C => 25C/min => 290C(5min)
Capillary	5 % Phenyl methyl siloxane	1409.	Yasuhara, Shiraishi, et al., 1997	25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	2045.	Chung, 1999	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Squalane	130.	1385.	Papazova and Pankova, 1975	N2; Column length: 100. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	1397.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	HP-5 MS	1424.	Radulovic, Blagojevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	HP-5 MS	1421.	Radulovic, Dordevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	Ultra-1	1398.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1402.3	Dimov, Osman, et al., 1994	Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1400.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1402.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	242.99	Sun, Zhou, et al., 2008	30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 6. K/min, 300. C @ 16. min
Capillary	5 % Phenyl methyl siloxane	240.25	Skrbic and Onjia, 2006	2. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5MS	243.42	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T_end: 310. C
Capillary	SE-52	242.38	Wang, Peng, et al., 1997	4. K/min; Column length: 30. m; Column diameter: 0.30 mm; T_start: 40. C; T_end: 250. C
Capillary	DB-5	242.97	Williams and Horne, 1995	He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_end: 270. C
Capillary	DB-5	243.31	Wang, Fingas, et al., 1994	30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; T_end: 300. C
Capillary	CP Sil 8 CB	242.9	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 80. C; T_end: 300. C
Capillary	SE-54	243.35	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	DB-5	243.76	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	240.23	Tong, Centen, et al., 1985	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 90. C; T_end: 325. C
Capillary	DB-5	236.0	Viau, Studak, et al., 1984	Helium, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 90. C; T_end: 250. C
Capillary	SE-52	243.30	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	240.25	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	DB-5	243.9	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	DB-5MS	243.1	Aracil, Font, et al., 2005	Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	Ultra-1	240.3	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	HP-5	243.75	Sandercock and du Pasquier, 2003	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 208C => 25C/min => 290C(5min)
Capillary	SE-52	243.56	Wang, Peng, et al., 1997	Column length: 30. m; Column diameter: 0.30 mm; Program: not specified
Capillary	CP Sil 8 CB	243.3	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	CP Sil 8 CB	243.4	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	DB-5	240.25	Tong, Centen, et al., 1985	He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

References

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

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]

Evans and Smith, 1951
Evans, R.F.; Smith, J.O., J. Inst. Pet., 1951, 37, 80. [all data]

Kruber and Oberkobusch, 1951
Kruber, O.; Oberkobusch, R., Chem. Ber., 1951, 84, 826. [all data]

Bailey, Bryant, et al., 1947
Bailey; Bryant; Hancock; Morrell; Smith, J.O., The ten dimethylnaphthalenes, their physical properties, molecular compounds, and ultra-violet spectra, J. Inst. Pet., 1947, 33, 503. [all data]

Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K., Alkyl-induced, natural hypsochromic shifts of the ²A←²X and ²B←²X transitions of azulene and naphthalene radical cations, Nouv. J. Chim., 1976, 1, 105. [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]

Engewald, Wennrich, et al., 1979
Engewald, W.; Wennrich, L.; Ritter, E., Molekülstruktur und Retentionsverhalten. XII. Zur Retention von Alkylnaphthalinen Bei der Gasverteilungs- und Gas-Adsorptions-Chromatographie, J. Chromatogr., 1979, 174, 2, 315-323, https://doi.org/10.1016/S0021-9673(00)86005-7 . [all data]

Shlyakhov, Anvaer, et al., 1975
Shlyakhov, A.F.; Anvaer, B.I.; Zolotareva, O.V.; Romina, N.N.; Novikova, N.V.; Koreshkova, R.I., On the possibility of group indentification of hydrocarbons by gas chromatography from temperature coefficients of retention indices, Zh. Anal. Khim., 1975, 30, 788-792. [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [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]

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]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [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]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

Sandercock and du Pasquier, 2003
Sandercock, P.M.L.; du Pasquier, E., Chemical fingerprinting of unevaporated automotive gasoline samples, Forensic Sci. Int., 2003, 134, 1, 1-10, https://doi.org/10.1016/S0379-0738(03)00081-1 . [all data]

Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y., Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry, J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2 . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C., Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °), J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7 . [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [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]

Dimov, Osman, et al., 1994
Dimov, N.; Osman, A.; Mekenyan, Ov.; Papazova, D., Selection of moelcular descriptors used in quantitative structure-gas chromatographic retention relationships. I. Application to alkylbenzenes and naphthalenes, Anal. Chim. Acta., 1994, 298, 3, 303-317, https://doi.org/10.1016/0003-2670(94)00280-0 . [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]

Sun, Zhou, et al., 2008
Sun, P.; Zhou, Q.; Li, G.; Wang, X.; Zhao, Y.; Cao, L., fingerprint analysis of polycyclic aromatic hydrocarbons in crude oil by internal standard method, J. Instrumental Anal., 2008, 27, 4, 344-348. [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]

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, Peng, et al., 1997
Wang, Y.; Peng, P.; Cui, S.; Zhang, Y., Identification of PAH in the Suzhou River bed sediments by GC/MS and PAH retention index system, J. Nanjing Norm. Univ. (Nat. Sci.), 1997, 20, 2, 47-68. [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]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [all data]

Bundt, Herbel, et al., 1991
Bundt, J.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W., Structure-type separation of diesel fuels by solid phase extraction and identification of the two- and three-ring aromatics by capillary GC-mass spectrometry, J. Hi. Res. Chromatogr., 1991, 14, 2, 91-98, https://doi.org/10.1002/jhrc.1240140205 . [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]

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]

Viau, Studak, et al., 1984
Viau, A.C.; Studak, S.M.; Karasek, F.W., Comparative analysis of hazardous compounds on flu-ash from municipal waste incineration by gas chromatography / mass spectrometry, Can. J. Chem., 1984, 62, 11, 2140-2145, https://doi.org/10.1139/v84-366 . [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]

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]

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]

Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

T_boil Boiling point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
T_boil	Boiling point