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Benzene, 1-ethyl-2,4,5-trimethyl-

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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 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
Tboil484.KN/AVon Auwers and Ziegler, 1921Uncertainty assigned by TRC = 5. K; TRC
Tboil484.KN/AVon Auwers, 1919Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus259.4KN/ASkvarchenko, Levina, et al., 1957Uncertainty assigned by TRC = 1.5 K; TRC
Tfus260.15KN/ABuck, Coles, et al., 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus259.57KN/ASmith and Kiess, 1939Uncertainty assigned by TRC = 0.2 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
13.5332.AStephenson and Malanowski, 1987Based on data from 317. - 481. K. See also Stull, 1947.; 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
316.9 - 481.33.480101275.902-118.101Stull, 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:


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 T.A.BLAZER DU PONT, GIBBSTOWN, N.J., USA
NIST MS number 4447

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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
CapillaryOV-101100.1173.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1173.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1390.8Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1391.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1391.Ivanciuc, Ivanciuc, et al., 2001Program: not specified

References

Go To: Top, Phase change data, 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.

Von Auwers and Ziegler, 1921
Von Auwers, K.; Ziegler, K., Justus Liebigs Ann. Chem., 1921, 425, 217. [all data]

Von Auwers, 1919
Von Auwers, K., Connections between constitution and physical properties of hydrocarbons of the benzene series., Justus Liebigs Ann. Chem., 1919, 419, 92. [all data]

Skvarchenko, Levina, et al., 1957
Skvarchenko, V.R.; Levina, R.Ya.; Kuz'min, M.G., Synthesis of Hydrocarbons LX. Homologs of Ethylbenzene from Adducts of Alkadienes with Methylethylmaleic Anhydride, Zh. Obshch. Khim., 1957, 27, 1784. [all data]

Buck, Coles, et al., 1949
Buck, F.R.; Coles, K.F.; Kennedy, G.T.; Morton, F., Some Nuclear-methylated Styrenes and Related Compounds, J. Chem. Soc., 1949, 1949, 2377-83. [all data]

Smith and Kiess, 1939
Smith, L.I.; Kiess, M.A., Polymethylbenzenes. XXIII. The Preparation and Physical Propeties of 3- and 5-Ethylpseudocumenes and of Ethylmesitylene, J. Am. Chem. Soc., 1939, 61, 284. [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]

Matisová, Kovacicová, et al., 1989
Matisová, E.; Kovacicová, E.; Ha, P.T.; Kolek, E.; Engewald, W., Identification of alkylbenzenes up to C12 by capillary gas chromatography-mass spectrometry. II. Retention indices on OV-101 columns and retention-molecular structure correlations, J. Chromatogr., 1989, 475, 2, 113-123, https://doi.org/10.1016/S0021-9673(01)89667-9 . [all data]

Matisová, Rukríglová, et al., 1988
Matisová, E.; Rukríglová, M.; Krupcík, J.; Kovacicová, E.; Holotík, S., Identification of alkylbenzenes up to C12 by capillary gas chromatography and combined gas chromatography-mass spectrometry. I. OV-101 as stationary phase, J. Chromatogr., 1988, 455, 301-309, https://doi.org/10.1016/S0021-9673(01)82129-4 . [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]

Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T., Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors, SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362 . [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References