Naphthalene, 1-butyl-

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Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-1775.kcal/molCcbHipsher and Wise, 1954ΔHfusion=6.0 kcal/mol; Corresponding Δfliquid = -88. kcal/mol (simple calculation by NIST; no Washburn corrections)

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil560. ± 6.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus253.39KN/AHipsher and Wise, 1954, 2Uncertainty assigned by TRC = 0.2 K; TRC
Tfus250.KN/ABailey, Pickering, et al., 1949Uncertainty assigned by TRC = 4. K; TRC
Tfus207.KN/AAndreev, 1947Uncertainty assigned by TRC = 5. K; TRC

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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
7.76PEBerkowitz, Dehmer, et al., 1973

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin AIR MAT. LAB., WRIGHT-PAT. AFB
Source reference COBLENTZ NO. 4605
Date Not specified, most likely prior to 1970
Name(s) 1-butylnaphthalene
State LIQUID (NEAT)
Instrument PERKIN-ELMER
Path length 0.02 CM (CsI CELL)
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 62244

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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
PackedOV-1150.1562.Antal, 1984Chromosorb W HP; Column length: 2.5 m
PackedOV-3150.1604.Antal, 1984Chromosorb W HP; Column length: 2.5 m
CapillaryOV-1130.1555.Engewald, Wennrich, et al., 1979Column length: 50. m; Column diameter: 0.23 mm

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

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Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1555.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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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]

Hipsher and Wise, 1954, 2
Hipsher, H.F.; Wise, P.H., Dicyclic Hydrocarbons VIII. 1-Alkylnaphthalenes and Some of Their Tetrahydro Derivatives, J. Am. Chem. Soc., 1954, 76, 1747-8. [all data]

Bailey, Pickering, et al., 1949
Bailey, A.S.; Pickering, G.B.; Smith, J.C., Alkylnaphthalenes: III the n-butyl, amyl, and hexylnaphthalenes, J. Inst. Pet., 1949, 35, 103-17. [all data]

Andreev, 1947
Andreev, D.N., Synthesis of Alkylnaphthalenes by Means of Organilithium Compounds, Zh. Obshch. Khim., 1947, 17, 1645-50. [all data]

Berkowitz, Dehmer, et al., 1973
Berkowitz, J.; Dehmer, J.L.; Shimada, K.; Szwarc, M., Photoelectron spectroscopic studies of (α-naphthyl)-(CH2)4-(α-naphthyl) vapor: open chain or cyclic conformation?, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 211. [all data]

Antal, 1984
Antal, J., Adatok az alkil-naftalinok gáz-folyadék kromatográfiájához, I., Magy. Kem. Foly., 1984, 90, 121-125. [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]

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

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