Indeno[1,2,3-cd]pyrene
- Formula: C22H12
- Molecular weight: 276.3307
- IUPAC Standard InChIKey: SXQBHARYMNFBPS-UHFFFAOYSA-N
- CAS Registry Number: 193-39-5
- 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: o-Phenylenepyrene; Indenopyrene; 1,10-(o-Phenylene)pyrene; 1,10-(1,2-Phenylene)pyrene; 2,3-(o-Phenylene)pyrene; IP; 2,3-Phenylenepyrene; 1,10-(ortho-Phenylene)pyrene; Rcra waste number U137; Indeno[cd]pyrene
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Phase change data
Go To: Top, 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 | 435. | K | N/A | Smith, 1980 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 437.7 | K | N/A | Farrell and Shahidi, 1979 | Uncertainty assigned by TRC = 0.6 K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.6 | 437. | DSC | Kestens, Auclair, et al., 2010 | AC |
21.51 | 435.2 | N/A | Smith, 1979 | AC |
Gas Chromatography
Go To: Top, 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. | 3131. | Grimmer and Böhnke, 1976 | N2, Gas Chrom Q (100-120 mesh); Column length: 10. m |
Packed | OV-101 | 270. | 3131. | Grimmer and Böhnke, 1975 | Gas Chrom Q; Column length: 10. m |
Capillary | OV-101 | 270. | 3082. | Grimmer and Böhnke, 1972 | N2; Column length: 50. m; Column diameter: 0.50 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 3081. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 3086. | Yasuhara, Shiraishi, et al., 1997 | 15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | Methyl Silicone | 3063. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Capillary | Methyl Silicone | 3108. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | C103H208 | 3108. | Dumitrescu, Buda, et al., 2000 | H2, 5. K/min; Phase thickness: 0.25 μm; Tstart: 80. C; Tend: 275. C |
Capillary | C103H208 | 3096. | Dumitrescu, Buda, et al., 2000 | H2, 4. K/min; Phase thickness: 0.25 μm; Tstart: 100. C; Tend: 275. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 3086. | Oda, Yasuhara, et al., 1998 | 25. 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 |
Packed | OV-101 | 3131. | Kaliszan and Lamparczyk, 1978 | Program: not specified |
Lee's RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Methyl Silicone | 260. | 495.9 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 270. | 495.3 | Shlyakhov, 1984 |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 493.65 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | HP-5 | 493.82 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5MS | 492.36 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | PTE-5 | 491.41 | Wang, Jia, et al., 2000 | 30. m/0.25 mm/0.25 μm, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min |
Capillary | HP-5 | 491.35 | 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 | DB-5 | 488.9 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
Capillary | DB-5 | 493.88 | 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 | DB-5 | 489.49 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | SE-52 | 493.24 | 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 | 481.87 | 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 | DB-5 | 486.6 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 494.91 | 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 | 493.24 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 493.88 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 494.91 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-5MS | 488.6 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | LM-5 | 490.26 | 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 | LM-5 | 490.69 | 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 | LM-5 | 487.14 | 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 | DB-5 | 493.3 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 490.69 | 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 | LM-5 | 490.80 | 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 | DB-5 | 493.59 | Takada, Onda, et al., 1990 | He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C |
Capillary | OV-101 | 495.8 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | SE-52 | 481.87 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 491.28 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 495.71 | Shlyakhov, 1984 | Program: not specified |
References
Go To: Top, 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.
Smith, 1980
Smith, G.W.,
Phase behavior of some condensed polycyclic aromatics,
Mol. Cryst. Liq. Cryst., 1980, 64, 15. [all data]
Farrell and Shahidi, 1979
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DSC studies of aromatic hydrocarbon picrates,
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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,
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Smith, 1979
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Phase behavior and nucleation kinetics of Octaphenylcyclotetrasiloxane,
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Grimmer and Böhnke, 1976
Grimmer, G.; Böhnke, H.,
Anreicherung und gas-chromatographische Profil-Analyse der polycyclischen aromatischen Kohlenwasserstoffe in Schmieröl,
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Grimmer and Böhnke, 1975
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Polycyclic aromatic hydrocarbon profile analysis of high-protein foods, oils, and fats by gas chromatography,
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Grimmer and Böhnke, 1972
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Bestimmung des Gesamtgehaltes aller polycyclischen aromatischen Kohlenwasserstoffe in Luftstaub und Kraftfahrzeugabgas mit der Capillar-Gas-Chromatographie,
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Beernaert, 1979
Beernaert, H.,
Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons,
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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,
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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
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Dumitrescu, Buda, et al., 2000
Dumitrescu, V.; Buda, W.; Medvedovici, A.,
Evaluation of new stationary phases for capillary gas chromatography,
Rev. Roum. Chim., 2000, 45, 4, 313-318. [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,
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Kaliszan and Lamparczyk, 1978
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A Relationship between the Connectivity Indices and Retention Indices of Polycyclic Aromatic Hydrocarbons,
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Shlyakhov, 1984
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Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [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.,
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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,
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Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Wang, Jia, et al., 2000
Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K.,
Characterization of polycyclic aromatic hydrocarbons created in lubricating oils,
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Piao, M.; Chu, S.; Zheng, M.; Xu, X.,
Characterization of the combustion products of polyethylene,
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Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F.,
Application of gas chromatographic retention properties to the identification of environmental contaminants,
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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,
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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,
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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,
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Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
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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,
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Aracil, I.; Font, R.; Conesa, J.A.,
Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride,
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Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil,
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Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal,
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Takada, H.; Onda, T.; Ogura, N.,
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Tucminen, Wickstrom, et al., 1986
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Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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