Dibenzo[def,mno]chrysene
- Formula: C22H12
- Molecular weight: 276.3307
- IUPAC Standard InChIKey: YFIJJNAKSZUOLT-UHFFFAOYSA-N
- CAS Registry Number: 191-26-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Anthanthrene; Anthanthren; Dibenzo[cd,jk]pyrene; Anthranthrene; Dibenz[def,mno]chrysene; Dibenzo[def,mmo]chrysene
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.30 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1989]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
80.14 | 100. | ||
123.04 | 150. | ||
171.37 | 200. | ||
245.43 | 273.15 | ||
270.5 ± 4.0 | 298.15 | ||
272.30 | 300. | ||
365.24 | 400. | ||
442.39 | 500. | ||
503.90 | 600. | ||
552.81 | 700. | ||
592.13 | 800. | ||
624.18 | 900. | ||
650.64 | 1000. | ||
672.69 | 1100. | ||
691.22 | 1200. | ||
706.91 | 1300. | ||
720.27 | 1400. | ||
731.72 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 530.9 | K | N/A | Inokuchi, Shiba, et al., 1952 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
135. ± 5. | 479. | ME | Inokuchi, Shiba, et al., 1952 | AC |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, 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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 270. | 3215. | Grimmer and Böhnke, 1976 | N2, Gas Chrom Q (100-120 mesh); Column length: 10. m |
Packed | OV-101 | 270. | 3215. | Grimmer and Böhnke, 1975 | Gas Chrom Q; Column length: 10. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 3183. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 3186. | Carugno and Rossi, 1967 | N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 3215. | Kaliszan and Lamparczyk, 1978 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 503.89 | Skrbic and Onjia, 2006 | 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | 5 % Phenyl methyl siloxane | 508.40 | Skrbic and Onjia, 2006 | 80. C @ 2. min, 8. K/min, 300. C @ 10. min |
Capillary | HP-5 | 505.29 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | HP-5 | 504.85 | Piao, Chu, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min |
Capillary | SE-52 | 504.26 | Hasegawa, Muragishi, et al., 1988 | 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 130. C; Tend: 260. C |
Capillary | DB-5 | 505.29 | Wise, Benner, et al., 1988 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | SE-52 | 504.10 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 503.89 | Lee, Vassilaros, et al., 1979 | 12. 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 505.97 | Wang, Li, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min) |
Capillary | HP-5MS | 505.29 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 505.97 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-5MS | 506.4 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | LM-5 | 505.61 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
Capillary | Ultra-1 | 503.9 | 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 | Ultra-1 | 508.4 | 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 | DB-5 | 508.4 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 505.49 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Capillary | SE-54 | 506.49 | Guillen, Iglesias, et al., 1992 | Program: not specified |
Capillary | OV-101 | 509.5 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | SE-52 | 510.00 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 510.58 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 503.89 | Shlyakhov, 1984 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Inokuchi, Shiba, et al., 1952
Inokuchi, Hiroo; Shiba, Sukekuni; Handa, Takashi; Akamatu, Hideo,
Heats of Sublimation of Condensed Polynuclear Aromatic Hydrocarbons,
Bull. Chem. Soc. Jpn., 1952, 25, 5, 299-302, https://doi.org/10.1246/bcsj.25.299
. [all data]
Grimmer and Böhnke, 1976
Grimmer, G.; Böhnke, H.,
Anreicherung und gas-chromatographische Profil-Analyse der polycyclischen aromatischen Kohlenwasserstoffe in Schmieröl,
Chromatographia, 1976, 9, 1, 30-40, https://doi.org/10.1007/BF02270595
. [all data]
Grimmer and Böhnke, 1975
Grimmer, G.; Böhnke, H.,
Polycyclic aromatic hydrocarbon profile analysis of high-protein foods, oils, and fats by gas chromatography,
J. Ass. Offic. Anal. Chem, 1975, 58, 4, 725-733. [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]
Carugno and Rossi, 1967
Carugno, N.; Rossi, S.,
Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columns,
J. Gas Chromatogr., 1967, 5, 2, 103-106, https://doi.org/10.1093/chromsci/5.2.103
. [all data]
Kaliszan and Lamparczyk, 1978
Kaliszan, R.; Lamparczyk, H.,
A Relationship between the Connectivity Indices and Retention Indices of Polycyclic Aromatic Hydrocarbons,
J. Chromatogr. Sci., 1978, 16, 6, 246-248, https://doi.org/10.1093/chromsci/16.6.246
. [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]
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]
Piao, Chu, et al., 1999
Piao, M.; Chu, S.; Zheng, M.; Xu, X.,
Characterization of the combustion products of polyethylene,
Chemosphere, 1999, 39, 9, 1497-1512, https://doi.org/10.1016/S0045-6535(99)00054-5
. [all data]
Hasegawa, Muragishi, et al., 1988
Hasegawa, K.; Muragishi, T.; Usami, S.,
Component analysis of coal-derivated heavy oil. Analysis of carcinogenic components in neutral nonpolar fractions,
Nippon Kagaku Kaishi, 1988, 3, 3, 311-320, https://doi.org/10.1246/nikkashi.1988.311
. [all data]
Wise, Benner, et al., 1988
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]
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]
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]
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]
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]
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]
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]
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]
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]
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]
Shlyakhov, 1984
Shlyakhov, A.F.,
Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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