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Naphthalene, 1,4-dimethyl-

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Gas 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.8950.Thermodynamics Research Center, 1997p=1 bar.
17.0100.
24.02150.
31.07200.
41.63273.15
45.22298.15
45.48300.
58.99400.
70.43500.
79.80600.
87.48700.
93.83800.
99.19900.
103.71000.
108.1100.
111.1200.
114.1300.
116.1400.
118.1500.

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil541.6KN/AAnonymous, 1949Uncertainty assigned by TRC = 1. K; TRC
Tboil536.KN/ABailey, Bryant, et al., 1947Uncertainty assigned by TRC = 4. K; TRC
Tboil539.KN/ANewman and Hussey, 1947Uncertainty assigned by TRC = 5. K; TRC
Tboil537.KN/ABarnett and Sanders, 1933Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus279. ± 20.KAVGN/AAverage of 12 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
536.20.988Aldrich Chemical Company Inc., 1990BS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
2.53279.2DSCCheon and Kim, 2007AC
2.53279.9N/AAcree, 1991AC

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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
2.0 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
<0.247 ± 0.078ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.2 eV, anion unbound.; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.78 ± 0.03EINounou, 1966RDSH
7.82 ± 0.03PEHeilbronner, Hoshi, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C12H11+12.9 ± 0.1HEINounou, 1966RDSH

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 Japan AIST/NIMC Database- Spectrum MS-NW-5165
NIST MS number 228347

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UV/Visible 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Cram, Dalton, et al., 1963
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 327
Instrument Cary PMS 11
Melting point 7.6
Boiling point 268

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Anonymous, 1949
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1949. [all data]

Bailey, Bryant, et al., 1947
Bailey; Bryant; Hancock; Morrell; Smith, J.O., The ten dimethylnaphthalenes, their physical properties, molecular compounds, and ultra-violet spectra, J. Inst. Pet., 1947, 33, 503. [all data]

Newman and Hussey, 1947
Newman, M.S.; Hussey, A.S., The Synthesis and Optical Resolution oif 4,5,8-Trimethyl-1-pheanthrylacetic Acid, J. Am. Chem. Soc., 1947, 69, 3023. [all data]

Barnett and Sanders, 1933
Barnett, E.B.; Sanders, F.G., The synthesis of some homologous naphthalenes, J. Chem. Soc., 1933, 1933, 434. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Cheon and Kim, 2007
Cheon, Yang-Ho; Kim, Kwang-Joo, Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers, J. Chem. Eng. Data, 2007, 52, 4, 1390-1393, https://doi.org/10.1021/je700088n . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Wojnarovits and Foldiak, 1981
Wojnarovits, L.; Foldiak, G., Electron capture detection of aromatic hydrocarbons, J. Chromatogr. Sci., 1981, 206, 511. [all data]

Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E., Experimental Determination of Electron Affinities of Organic Molecules, Mol. Cryst. Liq. Cryst., 1989, 171, 271. [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]

Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K., Alkyl-induced, natural hypsochromic shifts of the 2A<--2X and 2B<--2X transitions of azulene and naphthalene radical cations, Nouv. J. Chim., 1976, 1, 105. [all data]

Cram, Dalton, et al., 1963
Cram, D.J.; Dalton, C.K.; Knox, G.R., Macro rings. XXIX. Stereochemistry of a 1,6-cycloaddition reaction, J. Am. Chem. Soc., 1963, 85, 1088-1093. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References