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Phenanthrene, 3,6-dimethyl-

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Phase change 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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil636.2KN/AWeast and Grasselli, 1989 

Gas phase ion energetics 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C16H14+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
7.60 ± 0.03EINounou, 1966

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C15H9+18.2 ± 0.1?EINounou, 1966 
C15H10+16.2 ± 0.1?EINounou, 1966 
C15H11+13.0 ± 0.05CH3EINounou, 1966 
C16H13+13.8 ± 0.2HEINounou, 1966 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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 G.A.M.S., PARIS, FRANCE.
NIST MS number 9364

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Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
PackedOV-101230.2037.Grimmer and Böhnke, 1975Gas Chrom Q; Column length: 10. m
CapillaryOV-101230.2037.Grimmer and Böhnke, 1972N2; Column length: 50. m; Column diameter: 0.50 mm

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

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Column type Active phase I Reference Comment
CapillaryOV-11999.8Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryOV-12008.2Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 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
CapillaryMethyl Silicone1979.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-11983.Elizalde-González, Hutfliess, et al., 199650. m/0.2 mm/0.33 «mu»m, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C

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

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Column type Active phase I Reference Comment
CapillaryDB-52027.Hamm, Bleton, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C
PackedOV-1012037.Kaliszan and Lamparczyk, 1978Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS336.41Sun, Zhou, et al., 200830. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 6. K/min, 300. C @ 16. min
Capillary5 % Phenyl methyl siloxane337.83Skrbic and Onjia, 20062. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-5336.46Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillaryCP Sil 8 CB337.0Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillarySE-54336.53Guillén, Blanco, et al., 198920. m/0.22 mm/0.20 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryCP Sil 8 CB335.40Garrigues, Parlanti, et al., 198750. m/0.22 mm/0.13 «mu»m, H2, 120. C @ 2. min, 3. K/min; Tend: 270. C
CapillarySE-52337.83Lee, 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-5335.46Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
CapillaryUltra-1337.8Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1340.1Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1344.9Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryCP Sil 8 CB335.4Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryCP Sil 8 CB336.6Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryDB-5337.83Naikwadi, Charbonneau, et al., 1987Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-5338.65Naikwadi, Charbonneau, et al., 1987Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-101338.6Tucminen, Wickstrom, et al., 1986Program: not specified
CapillarySE-52337.83Shlyakhov, 1984Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

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]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [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]

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]

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]

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]

Hamm, Bleton, et al., 2004
Hamm, S.; Bleton, J.; Tchapla, A., Headspace solid phase microextraction for screening for the presence of resins in Egyptian archaeological samples, J. Sep. Sci., 2004, 27, 3, 235-243, https://doi.org/10.1002/jssc.200301611 . [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]

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]

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]

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]

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]

Guillén, Blanco, et al., 1989
Guillén, M.D.; Blanco, J.; Bermejo, J.; Blanco, C.G., Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54, J. Hi. Res. Chromatogr., 1989, 12, 8, 552-554, https://doi.org/10.1002/jhrc.1240120816 . [all data]

Garrigues, Parlanti, et al., 1987
Garrigues, P.; Parlanti, E.; Radke, M.; Bellocq, J.; Willsch, H.; Ewald, M., Identification of alkylphenanthrenes in shale oil and coal by liquid and capillary gas chromatography and high-resolution spectrofluorimetry (Shpol'skii effect), J. Chromatogr., 1987, 395, 217-228, https://doi.org/10.1016/S0021-9673(01)94112-3 . [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]

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]

Naikwadi, Charbonneau, et al., 1987
Naikwadi, K.P.; Charbonneau, G.M.; Karasek, F.W.; Clement, R.E., Separation and Identification of Organic Compounds in Air Particulate Extracts by High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 398, 227-237, https://doi.org/10.1016/S0021-9673(01)96508-2 . [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, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References