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Pyrene, 4,5,9,10-tetrahydro-

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Gas phase thermochemistry data

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

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas90.2 ± 1.4kJ/molCcbChirico, Knipmeyer, et al., 1993 

Condensed phase thermochemistry data

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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
Deltafsolid25.2 ± 1.5kJ/molCcbChirico, Knipmeyer, et al., 1993ALS
Quantity Value Units Method Reference Comment
Deltacsolid-8322.2 ± 1.2kJ/molCcbChirico, Knipmeyer, et al., 1993Corresponding «DELTA»fsolid = 25.21 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar247.77J/mol*KN/AChirico, Knipmeyer, et al., 1993crystaline, II phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
257.12298.15Chirico, Knipmeyer, et al., 1993crystaline, II phase; T = 5 to 500 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple412.720KN/AChirico, Knipmeyer, et al., 1993, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltasub65.0kJ/molN/AChirico, Knipmeyer, et al., 1993DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
70.9440.EB,IPChirico, Knipmeyer, et al., 1993AC
68.1480.EB,IPChirico, Knipmeyer, et al., 1993AC
65.3520.EB,IPChirico, Knipmeyer, et al., 1993AC
62.5560.EB,IPChirico, Knipmeyer, et al., 1993AC
59.5600.EB,IPChirico, Knipmeyer, et al., 1993AC
56.4640.EB,IPChirico, Knipmeyer, et al., 1993AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
90.4400.IPChirico, Knipmeyer, et al., 1993Based on data from 385. - 410. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
17.09412.8Chirico, Knipmeyer, et al., 1993AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.6709319.9crystaline, IIIcrystaline, IIChirico, Knipmeyer, et al., 1993DH
0.2611385.1crystaline, IIcrystaline, IChirico, Knipmeyer, et al., 1993DH
17.0938412.725crystaline, IliquidChirico, Knipmeyer, et al., 1993DH

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:


Mass spectrum (electron ionization)

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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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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-6945
NIST MS number 228787

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.


Gas Chromatography

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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

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

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Column type Active phase I Reference Comment
CapillaryDB-5325.7Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 «mu»m, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5325.7Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 «mu»m, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillarySE-52328.26Hasegawa, Muragishi, et al., 19883. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 130. C; Tend: 260. C
CapillarySE-52329.69Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryLM-5329.11Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryLM-5328.95Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillarySE-52329.69Shlyakhov, 1984Program: not specified

References

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

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

Chirico, Knipmeyer, et al., 1993
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Steele, W.V., The thermodynamic properties of 4,5,9,10-tetra-hydropyrene and of 1,2,3,6,7,8-hexahydropyrene, J. Chem. Thermodyn., 1993, 25, 729-761. [all data]

Chirico, Knipmeyer, et al., 1993, 2
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Steele, W.V., The thermodynamic properties of 4,5,9,10-tetrahydropyrene and of 1,2,3,6,7,8-hexahydropyrene, J. Chem. Thermodyn., 1993, 25, 729-61. [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]

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]

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]

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

Ré-Poppi and Santiago-Silva, 2002
Ré-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 2002, 55, 7/8, 475-481, https://doi.org/10.1007/BF02492280 . [all data]

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


Notes

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