Dibenzothiophene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas213.2 ± 0.7kJ/molCmChirico, Knipmeyer, et al., 1991ALS
Δfgas189.3 ± 4.5kJ/molCcrSabbah and Antipine, 1987see Sabbah, 1979; ALS
Δfgas205.4kJ/molN/AGood, 1972Value computed using ΔfHsolid° value of 120.3±1.5 kj/mol from Good, 1972 and ΔsubH° value of 85.1 kj/mol from Sabbah and Antipine, 1987.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid104.2 ± 4.5kJ/molCcrSabbah and Antipine, 1987see Sabbah, 1979; ALS
Δfsolid120.3 ± 1.5kJ/molCcrGood, 1972ALS
Quantity Value Units Method Reference Comment
Δcsolid-6571.6 ± 4.4kJ/molCcrSabbah and Antipine, 1987see Sabbah, 1979; ALS
Δcsolid-6587.7 ± 1.3kJ/molCcrGood, 1972ALS
Quantity Value Units Method Reference Comment
solid,1 bar204.20J/mol*KN/AChirico, Knipmeyer, et al., 1991DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
198.30298.15Chirico, Knipmeyer, et al., 1991T = 5 to 800 K.; DH
194.6298.15O'Rourke and Mraw, 1983T = 220 to 560 K. Cp = 0.6709 (T/K) - 5.4 (220 to 371.0 K) J/mol*K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

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

Data compiled 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil605.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus372. ± 1.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple371.820KN/AChirico, Knipmeyer, et al., 1991, 2Uncertainty assigned by TRC = 0.002 K; TRC
Quantity Value Units Method Reference Comment
Δvap78.3 ± 1.1kJ/molGCHaftka, Parsons, et al., 2006Based on data from 413. to 473. K.; AC
Quantity Value Units Method Reference Comment
Δsub90. ± 10.kJ/molAVGN/AAverage of 6 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
426.20.004Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
65.6388.N/ADykyj, Svoboda, et al., 1999Based on data from 373. to 424. K.; AC
63.4439.N/ADykyj, Svoboda, et al., 1999Based on data from 424. to 608. K.; AC
69.5 ± 0.3380.N/ASteele, Chirico, et al., 1995AC
66.8 ± 0.3420.N/ASteele, Chirico, et al., 1995AC
64.3 ± 0.3460.N/ASteele, Chirico, et al., 1995AC
61.8 ± 0.3500.N/ASteele, Chirico, et al., 1995AC
59.3 ± 0.3540.N/ASteele, Chirico, et al., 1995AC
56.8 ± 0.3580.N/ASteele, Chirico, et al., 1995AC
54.0 ± 0.3620.N/ASteele, Chirico, et al., 1995AC
68.0 ± 0.1400.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
64.9 ± 0.1450.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
61.8 ± 0.1500.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
58.7 ± 0.1550.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
55.4 ± 0.3600.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
51.8 ± 0.4650.EB,IPChirico, Knipmeyer, et al., 1991Based on data from 375. to 662. K.; AC
60.1400.AStephenson and Malanowski, 1987Based on data from 385. to 574. K.; AC
56.9590.CMraw and Keweshan, 1984AC
55.3610.CMraw and Keweshan, 1984AC
53.6630.CMraw and Keweshan, 1984AC
69.4385.GSEdwards and Prausnitz, 1981Based on data from 373. to 403. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
91.2325.THansen and Eckert, 1986Based on data from 303. to 348. K.; AC
90.7348.GSEdwards and Prausnitz, 1981Based on data from 333. to 363. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
21.708371.821N/AChirico, Knipmeyer, et al., 1991DH
21.580371.0N/AO'Rourke and Mraw, 1983DH
21.6371.8DSCLisicki and Jamróz, 2000AC
21.58371.N/ADomalski and Hearing, 1996AC
21.6373.2N/AO'Rourke and Mraw, 1983AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
58.38371.821Chirico, Knipmeyer, et al., 1991DH
58.17371.0O'Rourke and Mraw, 1983DH

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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C12H8S+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.44EITerlouw, Heerma, et al., 1974LLK
8.34EIAloisi and Pignataro, 1973LLK
8.23CTSAloisi and Pignataro, 1973LLK
7.90 ± 0.03PIPotapov, Kardash, et al., 1972LLK
8.14CTSMukherjee, 1969RDSH
7.93PERuscic, Kovac, et al., 1978Vertical value; LLK
8.01PEJohnstone and Mellon, 1973Vertical value; LLK

IR Spectrum

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

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

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References, Notes

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

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

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012
NIST MS number 408598

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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

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

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Werner, 1949
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 592
Instrument Beckman Spectrophotometer
Melting point 99.5
Boiling point 332.5

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
CapillaryOV-1160.1717.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryOV-101180.1739.8Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm; Large deviations from similar measurements; Measurement made at atypical conditions

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

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Column type Active phase I Reference Comment
CapillaryOV-11741.9Zhang, Shen, et al., 200025. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C

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

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Column type Active phase I Reference Comment
CapillaryOV-1011728.Yasuhara, Shiraishi, et al., 199715. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary5 % Phenyl methyl siloxane1733.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
CapillaryMethyl Silicone1742.Oda, Ichikawa, et al., 1996Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C
CapillaryMethyl Silicone1724.Oda, Ichikawa, et al., 1996Program: 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
CapillaryUltra-11722.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C
CapillaryPB-11719.Andersson and Weis, 199450. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min
CapillaryDB-51719.Andersson and Weis, 199430. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillaryDB-51764.Soderstrom, White, et al., 2001Program: not specified
CapillaryDB-51774.Soderstrom, White, et al., 2001Program: not specified
CapillaryDB-51774.Soderstrom, White, et al., 2001Program: not specified
CapillaryDB-51776.Soderstrom, White, et al., 2001Program: not specified
CapillaryDB-51780.Soderstrom, White, et al., 2001Program: not specified
CapillaryMethyl Silicone1728.Oda, Yasuhara, et al., 199825. 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
CapillaryMethyl Silicone1721.Zenkevich, 1994Program: not specified
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1766.Geldon, 1989Program: not specified
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1768.Geldon, 1989Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryRxi-5 MS295.47Zeigler, Schantz, et al., 201230. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min, 340. C @ 0. min
CapillaryDB-5MS295.99Sun, Zhou, et al., 200830. m/0.25 mm/0.25 μm, 50. C @ 2. min, 6. K/min, 300. C @ 16. min
CapillaryHP-5296.06Pedersen, 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-5295.59Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryHP-5295.59Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryHP-5MS295.73Zhou, Wang, et al., 200430. m/0.25 mm/0.25 μm, 65. C @ 5. min, 3. K/min, 290. C @ 20. min
CapillaryDB-5MS295.85Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5295.6Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5295.6Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5296.01Williams and Bottrill, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C
CapillaryPB-1295.77Andersson and Weis, 199450. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5295.78Andersson and Weis, 199430. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5295.96Wang, Fingas, et al., 199430. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillarySPB-5296.3Knobloch and Engewald, 199340. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C
CapillaryCP Sil 8 CB295.9Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryOV-101295.95Blanco, Blanco, et al., 1989H2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-5295.4Palmentier, Britten, et al., 198980. C @ 1. min, 3.5 K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-5295.59Wise, Benner, et al., 198830. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryOV-73295.9Arpino, Ignatiadis, et al., 198768. m/0.28 mm/0.15 μm, 1.5 K/min
CapillaryDB-5296.03Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillaryDB-5294.74Tong, Centen, et al., 1985He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C
CapillaryDB-5295.312Tong, Shore, et al., 1984He, 80. C @ 1. min, 3. K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm
CapillarySE-52296.00Kong, Lee, et al., 1982H2, 8. K/min; Column length: 19.6 m; Column diameter: 0.32 mm; Tstart: 40. C; Tend: 280. C
CapillarySE-52295.39Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52296.01Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52295.81Lee, 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

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Column type Active phase I Reference Comment
CapillaryDB-5296.Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryHP-5MS295.95Wang, Li, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min)
CapillaryHP-5MS295.59Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-5MS295.95Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-5MS295.70Zhou, Wang, et al., 200430. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-5295.7Lundstedt, Haglund, et al., 200330. m/0.25 mm/0.25 μm; Program: not specified
CapillarySPB-5294.65Thuss, Popp, et al., 200060. m/0.32 mm/0.10 μm, He; Program: A: 105 0C (2 min) 2.5 0C -> 230 0C 50 0C/min -> 305 0C (15 min) B: 95 0C (2 min) 3.8 0C/min -> 310 0C (5 min)
CapillaryDB-5293.59Mössner, de Alda, et al., 199960. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 45 C/min => 150C (2 min) => 2 C/min => 300 C (25 min)
CapillaryHP-5295.7Becker, Nilsson, et al., 199850. m/0.32 mm/0.5 μm, He; Program: 35C => 25C/min => 160C => 3C/min => 300C(50min)
CapillaryDB-5295.28Zamperlini, Silva, et al., 199730. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
CapillarySE-54295.24Guillen, Iglesias, et al., 1992Program: not specified
CapillaryDB-5295.2Paschke, Herbel, et al., 199230. m/0.25 mm/0.25 μm, He; Program: 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C
CapillaryCP Sil 8 CB295.8Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryCP Sil 8 CB295.9Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 μm, He; Program: not specified
CapillarySE-54295.9Peterman and Delfino, 199015. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min)
CapillaryDB-5294.9Takada, Onda, et al., 1990He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
CapillaryOV-101295.9Tucminen, Wickstrom, et al., 1986Program: not specified
CapillaryDB-5295.81Tong, Centen, et al., 1985He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

Lee's RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax295.17Andersson and Weis, 199430. m/0.2 mm/0.15 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Chirico, Knipmeyer, et al., 1991
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties of dibenzothiophene, J. Chem. Thermodyn., 1991, 23, 431-450. [all data]

Sabbah and Antipine, 1987
Sabbah, R.; Antipine, I., Thermodynamic study on four polycycles. Relationship between their energy values and their structure, Bull. Soc. Chim. Fr., 1987, 392-400. [all data]

Sabbah, 1979
Sabbah, R., Thermodynamique de substances soufrees. I. Etude thermochimique du benzo-2,3 thiophene et du dibenzothiophene, Bull. Soc. Chim. France, 1979, 9, 434-437. [all data]

Good, 1972
Good, W.D., Enthalpies of combustion of 18 organic sulfur compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 158-162. [all data]

O'Rourke and Mraw, 1983
O'Rourke, D.F.; Mraw, S.C., Heat capacities and enthalpies of fusion of dibenzothiophene (220 to 560 K) and of biphenyl, cyclohexylbenzene, and cyclohexylcyclohexane (220 to 475 K). Enthalpies and temperatures of three transitions in solid cyclohexylcyclohexane, J. Chem. Thermodynam., 1983, 15, 489-502. [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]

Chirico, Knipmeyer, et al., 1991, 2
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties of dibenzothiophene, J. Chem. Thermodyn., 1991, 23, 431-50. [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]

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]

Steele, Chirico, et al., 1995
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Nguyen, A.; Knipmeyer, S.E., Possible precursors and products of deep hydrodesulfurization of distillate fuels, The Journal of Chemical Thermodynamics, 1995, 27, 12, 1407-1428, https://doi.org/10.1006/jcht.1995.0149 . [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]

Mraw and Keweshan, 1984
Mraw, Stephen C.; Keweshan, Charles F., Calvet-type calorimeter for the study of high-temperature processes II. New ballistic method for the enthalpy of vaporization of organic materials at high temperatures, The Journal of Chemical Thermodynamics, 1984, 16, 9, 873-883, https://doi.org/10.1016/0021-9614(84)90035-1 . [all data]

Edwards and Prausnitz, 1981
Edwards, D.R.; Prausnitz, J.M., Vapor pressures of some sulfur-containing, coal-related compounds, J. Chem. Eng. Data, 1981, 26, 2, 121-124, https://doi.org/10.1021/je00024a005 . [all data]

Hansen and Eckert, 1986
Hansen, Philip C.; Eckert, Charles A., An improved transpiration method for the measurement of very low vapor pressures, J. Chem. Eng. Data, 1986, 31, 1, 1-3, https://doi.org/10.1021/je00043a001 . [all data]

Lisicki and Jamróz, 2000
Lisicki, Zygmunt; Jamróz, Malgorzata E., (Solid + liquid) equilibria in (polynuclear aromatic+ tertiary amide) systems, The Journal of Chemical Thermodynamics, 2000, 32, 10, 1335-1353, https://doi.org/10.1006/jcht.2000.0685 . [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]

Terlouw, Heerma, et al., 1974
Terlouw, J.K.; Heerma, W.; Frintrop, P.C.M.; Dijkstra, G.; Meinema, H.A., Electron-impact induced fragmentation of some heterocyclic-tin compounds, J. Organomet. Chem., 1974, 64, 205. [all data]

Aloisi and Pignataro, 1973
Aloisi, G.G.; Pignataro, S., Molecular complexes of substituted thiophens with σ and π acceptors, J. Chem. Soc. Faraday Trans. 1, 1973, 69, 534. [all data]

Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I., Photoionization of heteroaromatic compounds, Khim. Vys. Energ., 1972, 6, 392. [all data]

Mukherjee, 1969
Mukherjee, T.K., Charge-transfer donor abilities of o,o'bridged biphenyls, J. Phys. Chem., 1969, 73, 3442. [all data]

Ruscic, Kovac, et al., 1978
Ruscic, B.; Kovac, B.; Klasinc, L.; Gusten, H., Photoelectron spectroscopy of J. Heterocycl. Chem.. Fluorene analogues, Z. Naturforsch. A:, 1978, 33, 1006. [all data]

Johnstone and Mellon, 1973
Johnstone, R.A.W.; Mellon, F.A., Photoelectron spectroscopy of sulphur-containing heteroaromatics and molecular orbital calculations, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1155. [all data]

Werner, 1949
Werner, E.G.G., Synthesis of benzothiophenes, Recl. Trav. Chim. Pays-Bas, 1949, 68, 509-519. [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]

Gerasimenko, Kirilenko, et al., 1981
Gerasimenko, V.A.; Kirilenko, A.V.; Nabivach, V.M., Capillary gas chromatography of aromatic compounds found in coal tar fractions, J. Chromatogr., 1981, 208, 1, 9-16, https://doi.org/10.1016/S0021-9673(00)87953-4 . [all data]

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

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]

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]

Andersson and Weis, 1994
Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 1994, 659, 1, 151-161, https://doi.org/10.1016/0021-9673(94)85017-8 . [all data]

Soderstrom, White, et al., 2001
Soderstrom, M.; White, E.; Abis, L.; Sliwakowski, M., Summary report of the eight meeting of the validation group for the updating of the central OPCW analytical database, 28-29 November 2000, CS-2001-2242, Verification Division S/239/2001, 2001, 14. [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]

Zenkevich, 1994
Zenkevich, I.G., Contemporary State of Informational Maintenance for Gas Chromatographic Identification of Chlorinated Polycyclic Aromatic Compounds, Zh. Ecol. Khim., 1994, 3, 2, 111-119. [all data]

Geldon, 1989
Geldon, A.L., Ground Water Hydrology of the Central Raton Basin, Colorado and New Mexico, US Geological Survey, US Government Printing Office, 1989, 104. [all data]

Zeigler, Schantz, et al., 2012
Zeigler, C.; Schantz, M.; Wise, S.; Robbat, A., Mass spectra and retention indices for polycyclic aromatic sulfur heterocycles and some alkylated analogs, Polycyclic Aromatic Compounds, 2012, 32, 2, 154-176, https://doi.org/10.1080/10406638.2011.651679 . [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]

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]

Zhou, Wang, et al., 2004
Zhou, J.; Wang, T.; Shi, Q.; Huang, Y.; Mao, T.; Zhong, N.; Zhang, Y.; Zhang, X., Determination of sulfur and oxygen containing polycyclic aromatic hydrocarbons in inhalable particulate by gas chromatography - mass spectrometry, J. Chin. Mass Spectrom. Soc., 2004, 25, 3, 134-140. [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]

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]

Williams and Bottrill, 1995
Williams, P.T.; Bottrill, R.P., Sulfur-polycyclic aromatic hydrocarbons in tyre pyrolysis oil, Fuel, 1995, 74, 5, 736-742, https://doi.org/10.1016/0016-2361(94)00005-C . [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]

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]

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]

Blanco, Blanco, et al., 1989
Blanco, C.G.; Blanco, J.; Bermejo, J.; Guillen, M.D., Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phases, J. Chromatogr., 1989, 465, 3, 378-385, https://doi.org/10.1016/S0021-9673(01)92675-5 . [all data]

Palmentier, Britten, et al., 1989
Palmentier, J.-P.F.; Britten, A.J.; Charbonneau, G.M.; Karasek, F.W., Determination of polycyclic aromatic hydrocarbons in lubricating oil base stocks using high-performance liquid chromatography and gas chromatography-mass spectrometry, J. Chromatogr., 1989, 469, 241-251, https://doi.org/10.1016/S0021-9673(01)96459-3 . [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]

Arpino, Ignatiadis, et al., 1987
Arpino, P.J.; Ignatiadis, I.; de Rycke, G., Sulphur-containing polynuclear aromatic hydrocarbons from petroleum. Examination of their possible statistical formation in sediments, J. Chromatogr., 1987, 390, 2, 329-348, https://doi.org/10.1016/S0021-9673(01)94385-7 . [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]

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]

Tong, Shore, et al., 1984
Tong, H.Y.; Shore, D.L.; Karasek, F.W.; Helland, P.; Jellum, E., Identification of organic compounds obtained from incineration of municipal waste by high-performance liquid chromatographic fractionation and gas chromatography-mass spectrometry, J. Chromatogr., 1984, 285, 423-441, https://doi.org/10.1016/S0021-9673(01)87784-0 . [all data]

Kong, Lee, et al., 1982
Kong, R.C.; Lee, M.L.; Tominaga, Y.; Pratap, R.; Iwao, M.; Castle, R.N.; Wise, S.A., Capillary Column Gas Chromatographic Resolution of Isomeric Polycylic Aromatic Sulfur Heterocycles in a Coal Liquid, J. Chromatogr. Sci., 1982, 20, 11, 502-510, https://doi.org/10.1093/chromsci/20.11.502 . [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]

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]

Thuss, Popp, et al., 2000
Thuss, U.; Popp, P.; Ehrlich, C.; Kalkoff, W.-D., Identification and quantification of thaarenes in the flue gas of lignite-fired domestic heating, J. Hi. Res. Chromatogr., 2000, 23, 7/8, 457-473, https://doi.org/10.1002/1521-4168(20000801)23:7/8<457::AID-JHRC457>3.0.CO;2-7 . [all data]

Mössner, de Alda, et al., 1999
Mössner, S.G.; de Alda, M.J.L.; Sander, L.C.; Lee, M.L.; Wise, S.A., Gas chromatographic retention behavior of polycyclic aromatic sulfur heterocyclic compounds, (dibenzothiophene, naphtho[b]thiophenes, benzo[b]naphthothiophenes and alkyl-substituted derivatives) on stationary phases of different selectivity, J. Chromatogr. A, 1999, 841, 2, 207-228, https://doi.org/10.1016/S0021-9673(99)00363-5 . [all data]

Becker, Nilsson, et al., 1998
Becker, G.; Nilsson, U.; Colmsjö, A.; Östman, C., Determination of polycyclic aromatic sulfur heterocyclic compounds in airborne particulate by gas chromatography with atomic emission and mass spectrometric detection, J. Chromatogr. A, 1998, 826, 1, 57-66, https://doi.org/10.1016/S0021-9673(98)00729-8 . [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]

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]

Paschke, Herbel, et al., 1992
Paschke, A.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W., Determination of mono- to tetracyclic aromatic hydrocarbons in lubricating oil, J. Hi. Res. Chromatogr., 1992, 15, 12, 827-833, https://doi.org/10.1002/jhrc.1240151211 . [all data]

Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J., Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin, Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203 . [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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