Chrysene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, IR 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:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas64.2 ± 1.1kcal/molReviewRoux, Temprado, et al., 2008There 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

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.7250.Dorofeeva O.V., 1988Recommended 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
18.58100.
26.800150.
36.228200.
51.114273.15
56.23 ± 0.36298.15
56.604300.
75.746400.
91.711500.
104.48600.
114.67700.
122.93800.
129.70900.
135.331000.
140.051100.
144.041200.
147.431300.
150.331400.
152.831500.

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR 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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil721.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus531.4KN/ACasellato, Vecchi, et al., 1973Uncertainty assigned by TRC = 0.2 K; TRC
Tfus529.0KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 2. K; TRC
Tfus527.35KN/ASchuyer, Blom, et al., 1953Uncertainty assigned by TRC = 1. K; TRC
Tfus529.2KN/AJones and Neuworth, 1944Uncertainty assigned by TRC = 1. K; TRC
Tfus527.9KN/ABaxter and Hale, 1936Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Δvap25.38kcal/molCGCZhao, Unhannanant, et al., 2008AC
Δvap23.2 ± 0.33kcal/molGCHaftka, Parsons, et al., 2006Based on data from 463. to 513. K.; AC
Quantity Value Units Method Reference Comment
Δsub29.5 ± 1.0kcal/molReviewRoux, Temprado, et al., 2008There 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
Δsub31.3 ± 1.kcal/molVKruif, 1980ALS
Δsub31.3 ± 1.kcal/molTE,MEKruif, 1980AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
21.4398.GCLei, Chankalal, et al., 2002Based on data from 323. to 473. K.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
28.39383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
28.1 ± 1.400.MEWakayama and Inokuchi, 1967See also Cox and Pilcher, 1970.; AC
29.02385.N/AHoyer and Peperle, 1958Based on data from 353. to 418. K.; AC
28.4353.VHoyer and Peperle, 1958, 2ALS
28.1293.VMagnus, Hartmann, et al., 1951ALS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
5.64527.DSCKestens, Auclair, et al., 2010AC
6.250531.4DSCCasellato, Vecchi, et al., 1973, 2AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
1.50512.2Casellato, Vecchi, et al., 1973CAL
11.76531.4

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, Phase change data, Ion clustering data, IR 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C18H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.60 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)201.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity193.6kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.320 ± 0.010LPESTschurl and Boesl, 2006B
0.3970 ± 0.0080ECDBecker and Chen, 1966B
0.33ECDWentworth and Becker, 1962B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
198.1Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
192.3Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
7.60 ± 0.03PEShahbaz, Akiyama, et al., 1981LLK
8.0 ± 0.2EIShushan and Boyd, 1980LLK
7.59 ± 0.05EQMautner(Meot-Ner), 1980LLK
7.60 ± 0.01PEBoschi, Murrell, et al., 1972LLK
8.0 ± 0.3EIWacks, 1964RDSH
7.82CTSKuroda, 1964RDSH
7.83CTSBriegleb, 1964RDSH
7.68CTSKinoshita, 1962RDSH
7.75CTSBriegleb, Czekalla, et al., 1961RDSH
7.80CTSBirks and Stifkin, 1961RDSH
7.78CTSBriegleb and Czekalla, 1959RDSH
7.72CTSMatsen, 1956RDSH
7.59 ± 0.02PESchmidt, 1977Vertical value; LLK
7.59PEClar and Schmidt, 1976Vertical value; LLK
7.61PEBrogli and Heilbronner, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C16H10+16.6 ± 0.3C2H2EIShushan and Boyd, 1980LLK
C18H11+15.1 ± 0.3HEIShushan and Boyd, 1980LLK

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR 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: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C18H12+ + Chrysene = (C18H12+ • Chrysene)

By formula: C18H12+ + C18H12 = (C18H12+ • C18H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr18.2kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3418.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

C18H13+ + Chrysene = (C18H13+ • Chrysene)

By formula: C18H13+ + C18H12 = (C18H13+ • C18H12)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.6418.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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, Ion clustering data, IR 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCP Sil 5 CB240.2406.Hanai and Hong, 198930. m/0.25 mm/0.25 μm
CapillarySE-30240.2429.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30240.2438.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30240.2439.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30240.2447.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2480.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2486.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2488.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30260.2491.Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-52240.2461.9Pozhidaev, Berezkin, et al., 1988He; Column length: 17.5 m; Column diameter: 0.21 mm
CapillarySE-30220.2408.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30240.2456.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedOV-101250.2489.Rudenko, Bulychova, et al., 1984N2; Column length: 3. m
CapillaryOV-101270.2490.Grimmer and Böhnke, 1972N2; Column length: 50. m; Column diameter: 0.50 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-52472.3Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52471.8Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-52434.2Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52472.3Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52494.9Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryOV-12474.4Zhang, Shen, et al., 200025. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryUltra-12442.66Richmond and Pombo-Villar, 199725. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryOV-12442.5Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-52434.2Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52472.3Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52494.9Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52412.3Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-52471.8Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillarySE-302463.1Pozhidaev, Berezkin, et al., 1988He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C
CapillarySE-522432.2Pozhidaev, Berezkin, et al., 1988He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C
CapillarySE-302465.Korhonen and Lind, 1985N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C
CapillarySE-302454.Korhonen and Lind, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 140. C; Tend: 320. C
CapillarySE-522400.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522400.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522400.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522400.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522400.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522413.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522413.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522413.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522413.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522422.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522422.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522424.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522431.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522434.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522437.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-522397.Cantuti, Cartoni, et al., 1965N2, 2.5 K/min; Column length: 50. m; Tstart: 100. C; Tend: 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
CapillaryHP-12409.82Dimitriou-Christidis, Harris, et al., 200330. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
CapillaryHP-52471.68Dimitriou-Christidis, Harris, et al., 200330. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min)
CapillaryDB-52486.Havenga and Rohwer, 199930. m/0.25 mm/0.25 μm, He; Program: 60 0C 7 0C/min -> 130 0C 5 0C/min -> 200 0C 6 0C/min -> 260 0C 20 0C/min -> 320 0C (4 min)
CapillaryOV-1012443.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 siloxane2441.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
CapillaryMethyl Silicone2401.Oda, Ichikawa, et al., 1996Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-52450.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52451.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52457.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52458.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52462.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52463.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52491.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryHP-52492.Miao and Wu, 199930. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C
CapillaryUltra-12428.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C
CapillaryDB-52453.Quilliam, Lant, et al., 198530. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C
CapillaryDB-52456.Quilliam, Lant, et al., 198530. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone2411.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
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.2465.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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

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

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]

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]

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]

Schuyer, Blom, et al., 1953
Schuyer, J.; Blom, L.; Van Krevelen, D.W., Molar refraction of condensed aromatic compounds., Trans. Faraday Soc., 1953, 49, 1391. [all data]

Jones and Neuworth, 1944
Jones, R.C.; Neuworth, M.B., The Ultraviolet Absorption Spectra of Hydrocarbon-Trinitrobenzene Complexes, J. Am. Chem. Soc., 1944, 66, 1497. [all data]

Baxter and Hale, 1936
Baxter, G.P.; Hale, A.H., A Revision of the Atomic Weight of Carbon, J. Am. Chem. Soc., 1936, 58, 510. [all data]

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [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]

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

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]

Wakayama and Inokuchi, 1967
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]

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

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

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]

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]

Casellato, Vecchi, et al., 1973, 2
Casellato, F.; Vecchi, C.; Girelli, A.; Casu, B., Differential calorimetric study of polycyclic aromatic hydrocarbons, Thermochimica Acta, 1973, 6, 4, 361-368, https://doi.org/10.1016/0040-6031(73)87003-0 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Tschurl and Boesl, 2006
Tschurl, M.; Boesl, U., Photodetachment-photoelectron spectroscopy of jet-cooled chrysene, Int. J. Mass Spectrom., 2006, 249, 364-369, https://doi.org/10.1016/j.ijms.2005.11.024 . [all data]

Becker and Chen, 1966
Becker, R.S.; Chen, E., Extension of Electron Affinities and Ionization Potentials of Aromatic Hydrocarbons, J. Chem. Phys., 1966, 45, 7, 2403, https://doi.org/10.1063/1.1727954 . [all data]

Wentworth and Becker, 1962
Wentworth, W.E.; Becker, R.S., Potential Method for the Determination of Electron Affinities of Molecules: Application to Some Aromatic Hydrocarbons., J. Am. Chem. Soc., 1962, 84, 22, 4263, https://doi.org/10.1021/ja00881a014 . [all data]

Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]

Shahbaz, Akiyama, et al., 1981
Shahbaz, M.; Akiyama, I.; LeBreton, P., Ultraviolet photoelectron studies of methyl substituted chrysenes, Biochem. Biophys. Res. Commun., 1981, 103, 25. [all data]

Shushan and Boyd, 1980
Shushan, B.; Boyd, R.K., Unimolecular and collision induced fragmentations of molecular ions of polycyclic aromatic hydrocarbons, Org. Mass Spectrom., 1980, 15, 445. [all data]

Mautner(Meot-Ner), 1980
Mautner(Meot-Ner), M., Ion thermochemistry of low volatility compounds in the gas phase. 3. Polycyclic aromatics: Ionization energies, proton, and hydrogen affinities. Extrapolations to graphite, J. Phys. Chem., 1980, 84, 2716. [all data]

Boschi, Murrell, et al., 1972
Boschi, R.; Murrell, J.N.; Schmidt, W., Photoelectron spectra of polycyclic aromatic hydrocarbons, Faraday Discuss. Chem. Soc., 1972, 54, 116. [all data]

Wacks, 1964
Wacks, M.E., Electron-impact studies of aromatic hydrocarbons. II. Naphthacene, naphthaphene, chrysene, triphenylene, and pyrene, J. Chem. Phys., 1964, 41, 1661. [all data]

Kuroda, 1964
Kuroda, H., Ionization potentials of polycyclic aromatic hydrocarbons, Nature, 1964, 201, 1214. [all data]

Briegleb, 1964
Briegleb, G., Electron affinity of organic molecules, Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]

Kinoshita, 1962
Kinoshita, M., The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil, Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]

Briegleb, Czekalla, et al., 1961
Briegleb, G.; Czekalla, J.; Reuss, G., Mesomeriemomente und Elektronenuberfuhrungsbanden von Elektronen-donator-akzeptor-komplexen des Chloranils und Tetracyanathylens mit aromatischen Kohlenwasserstoffen, Z. Phys. Chem. (Neue Folge), 1961, 30, 333. [all data]

Birks and Stifkin, 1961
Birks, J.B.; Stifkin, M.A., π-Electronic excitation and ionization energies of condensed ring aromatic hydrocarbons, Nature, 1961, 191, 761. [all data]

Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J., Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen, Z.Elektrochem., 1959, 63, 6. [all data]

Matsen, 1956
Matsen, F.A., Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons, J. Chem. Phys., 1956, 24, 602. [all data]

Schmidt, 1977
Schmidt, W., Photoelectron spectra of polynuclear aromatics. V. Correlations with ultraviolet absorption spectra in the catacondensed series, J. Chem. Phys., 1977, 66, 828. [all data]

Clar and Schmidt, 1976
Clar, E.; Schmidt, W., Correlations between photoelectron and phosphorescence spectra of polycyclic hydrocarbons, Tetrahedron, 1976, 32, 2563. [all data]

Brogli and Heilbronner, 1972
Brogli, F.; Heilbronner, E., The photoelectron spectra of benzenoid hydrocarbons C18H12, Angew. Chem. Int. Ed. Engl., 1972, 11, 538. [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]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [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]

Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXIV. Separation and retention indices with retention increments of some nitrated polynuclear aromatic hydrocarbons on a low-polarity (SE-30) capillary column, J. Chromatogr., 1985, 322, 71-81, https://doi.org/10.1016/S0021-9673(01)97660-5 . [all data]

Rudenko, Bulychova, et al., 1984
Rudenko, B.A.; Bulychova, Z.Yu.; Topunov, V.N.; Itsikson, L.B., Regularities in changes of retention indices for polycyclic aromatic hydrocarbons depending on their structure and polarity of stationary phase, Zh. Anal. Khim., 1984, 39, 4, 700-706. [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]

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]

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]

Richmond and Pombo-Villar, 1997
Richmond, R.; Pombo-Villar, E., Short communication. Gas chromatography-mass spectrometry coupled with pseudo-Sadtler retention indices, for the identification of components in the essential oil of Curcuma longa L., J. Chromatogr. A, 1997, 760, 2, 303-308, https://doi.org/10.1016/S0021-9673(96)00802-3 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [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]

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]

Cantuti, Cartoni, et al., 1965
Cantuti, V.; Cartoni, G.P.; Liberti, A.; Torri, A.G., Improved evaluation of polynuclear hydrocarbons in atmospheric dust by gas chromatography, J. Chromatogr., 1965, 17, 60-65, https://doi.org/10.1016/S0021-9673(00)99836-4 . [all data]

Dimitriou-Christidis, Harris, et al., 2003
Dimitriou-Christidis, P.; Harris, B.C.; McDonald, T.J.; Reese, E.; Autenrieth, R.L., Estimation of selected physicochemical properties for methylated naphthalene compounds, Chemosphere, 2003, 52, 5, 869-881, https://doi.org/10.1016/S0045-6535(03)00288-1 . [all data]

Havenga and Rohwer, 1999
Havenga, W.J.; Rohwer, E.R., Chemical Characterization and Screening of Hydrocarbon Pollution in Industrial Soils by Headspace Solid-Phase Microextraction, J. Chromatogr., 1999, 848, 1-2, 279-295, https://doi.org/10.1016/S0021-9673(99)00522-1 . [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]

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]

Miao and Wu, 1999
Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 1999, 15, 4, 288-292. [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]

Quilliam, Lant, et al., 1985
Quilliam, M.A.; Lant, M.S.; Kaiser-Farrell, C.; McCalla, D.R.; Sheldrake, C.P.; Kerr, A.A.; Lockington, J.N.; Gibson, E.S., Identification of polycyclic aromatic compounds in of poly-mutagenic emissions from steel casting, Biomed. Mass Spectrom., 1985, 12, 4, 143-150, https://doi.org/10.1002/bms.1200120402 . [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]

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]


Notes

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