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Naphthalene, 2-(1-methylethyl)-

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Condensed phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, 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
Deltacliquid-1630.kcal/molCcbHipsher and Wise, 1954«DELTA»Hfusion=3.4 kcal/mol; Corresponding «DELTA»fliquid = -71. kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil540. ± 5.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus287.9KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.25 K; TRC
Tfus288.25KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; TRC
Tfus284.31KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.3 K; TRC
Tfus284.55KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.2 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
398.0.016Frinton Laboratories Inc., 1986BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.4417.AStephenson and Malanowski, 1987Based on data from 402. - 541. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
349. - 539.4.752462395.554-35.361Stull, 1947Coefficents calculated by NIST from author's data.

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:


IR Spectrum

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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114721

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L200.1413.Klemm, Shabtai, et al., 1981 
PackedOV-1150.1442.Bartik, Jánosi, et al., 1980Chromosorb W HP; Column length: 2.5 m
CapillaryOV-1130.1435.Engewald, Wennrich, et al., 1979Column length: 50. m; Column diameter: 0.23 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-51454.0Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51453.6Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51443.9Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51454.0Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51459.1Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51443.9Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51454.Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51459.1Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51454.0Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51453.6Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11422.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB248.7Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C

References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Hipsher and Wise, 1954
Hipsher, H.F.; Wise, P.H., Dicyclic hydrocarbons. VIII. 1-Alkylnaphthalenes and some of their tetrahydro derivatives, J. Am. Chem. Soc., 1954, 76, 1747-1748. [all data]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Klemm, Shabtai, et al., 1981
Klemm, L.H.; Shabtai, J.; Bodily, K.C., Gas chromatography of some C13-C16 alkylnaphthalenes on Bentone 34, silicone fluid DC 550 and Apiezon L phases, J. Chromatogr., 1981, 206, 2, 372-375, https://doi.org/10.1016/S0021-9673(00)82549-2 . [all data]

Bartik, Jánosi, et al., 1980
Bartik, T.; Jánosi, A.; Simon, Á., Qualitative and quantitative analysis of propylnaphthalenes by gas chromatography on silicone stationary phases, J. Chromatogr., 1980, 197, 1, 92-96, https://doi.org/10.1016/S0021-9673(00)80540-3 . [all data]

Engewald, Wennrich, et al., 1979
Engewald, W.; Wennrich, L.; Ritter, E., Molekülstruktur und Retentionsverhalten. XII. Zur Retention von Alkylnaphthalinen Bei der Gasverteilungs- und Gas-Adsorptions-Chromatographie, J. Chromatogr., 1979, 174, 2, 315-323, https://doi.org/10.1016/S0021-9673(00)86005-7 . [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]

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]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [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]


Notes

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