Benzene, 1-ethyl-4-methyl-

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

Quantity Value Units Method Reference Comment
Δfgas-0.78 ± 0.35kcal/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946

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
Δfliquid-11.92 ± 0.34kcal/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946
Quantity Value Units Method Reference Comment
Δcliquid-1244.45 ± 0.32kcal/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; Corresponding Δfliquid = -11.90 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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil435.1 ± 0.8KAVGN/AAverage of 26 out of 28 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus210. ± 1.KAVGN/AAverage of 12 out of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tc640.2 ± 1.0KN/ATsonopoulos and Ambrose, 1995 
Tc640.23KN/ADaubert, Jalowka, et al., 1987Uncertainty assigned by TRC = 0.2 K; TRC
Tc640.2KN/ALyons, 1985Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc31.9 ± 0.99atmN/ATsonopoulos and Ambrose, 1995 
Pc31.91atmN/ADaubert, Jalowka, et al., 1987Uncertainty assigned by TRC = 0.08 atm; TRC
Pc31.32atmN/ALyons, 1985Uncertainty assigned by TRC = 0.987 atm; TRC
Quantity Value Units Method Reference Comment
Δvap11.1kcal/molN/ARu«7825»icka, Zábranský, et al., 1994AC
Δvap11.1kcal/molN/AReid, 1972AC
Δvap11.1kcal/molN/AJohnson, Prosen, et al., 1945DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
10.3364.AStephenson and Malanowski, 1987Based on data from 349. to 442. K. See also Forziati, Norris, et al., 1949.; 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
351.46 to 436.164.117201527.113-64.229Forziati, Norris, et al., 1949, 2

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:


Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

3Hydrogen + Benzene, 1-ethyl-4-methyl- = Cyclohexane, 1-ethyl-4-methyl-, cis-

By formula: 3H2 + C9H12 = C9H18

Quantity Value Units Method Reference Comment
Δr-45.7kcal/molEqkMiki, 1975gas phase; GC

3Hydrogen + Benzene, 1-ethyl-4-methyl- = Cyclohexane, 1-ethyl-4-methyl-, trans-

By formula: 3H2 + C9H12 = C9H18

Quantity Value Units Method Reference Comment
Δr-46.8kcal/molEqkMiki, 1975gas phase; GC

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 C9H12+ (ion structure unspecified)

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7+15.3?EIHarrison, Haynes, et al., 1965 
C8H9+11.2 ± 0.1CH3EIMeyer, Haynes, et al., 1965 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes

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

Johnson, Prosen, et al., 1945
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of the eight C9H12 alkylbenzenes, J. Res. NBS, 1945, 35, 141-146. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Daubert, Jalowka, et al., 1987
Daubert, T.E.; Jalowka, J.W.; Goren, V., Vapor pressure of 22 pure industrial chemicals, AIChE Symp. Ser., 1987, 83, 256, 128-156. [all data]

Lyons, 1985
Lyons, R.L., The determination of critical properties and vapor pressure of thermally stable and unstable compounds, M. S. Thesis, 1985. [all data]

Ru«7825»icka, Zábranský, et al., 1994
Ru«7825»icka, Vlastimil; Zábranský, Milan; Ru«7825»icka, Kvetoslav; Majer, Vladimír, Vapor pressures for a group of high-boiling alkylbenzenes under environmental conditions, Thermochimica Acta, 1994, 245, 121-144, https://doi.org/10.1016/0040-6031(94)85073-9 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [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]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [all data]

Miki, 1975
Miki, Y., The thermodynamic properties of C9H18 naphthenes. I. The determination of the equilibrium constants of the hydrogenation of propyl- and isopropylbenzene and ethyltoluenes, Bull. Chem. Soc. Jpn., 1975, 48, 201-208. [all data]

Harrison, Haynes, et al., 1965
Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., The mass spectra of methyl-substituted cyclopentadienes, J. Am. Chem. Soc., 1965, 87, 5099. [all data]

Meyer, Haynes, et al., 1965
Meyer, F.; Haynes, P.; McLean, S.; Harrison, A.G., An electron impact study of some C8H10 isomers, Can. J. Chem., 1965, 43, 211. [all data]


Notes

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