Benzene, 1-ethenyl-3-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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.150.Thermodynamics Research Center, 1997p=1 bar.
13.9100.
17.6150.
22.4200.
30.57273.15
33.41298.15
33.63300.
44.43400.
53.59500.
61.04600.
67.14700.
72.20800.
76.48900.
80.091000.
83.21100.
85.81200.
88.21300.
90.11400.
91.81500.

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

Quantity Value Units Method Reference Comment
Tboil443.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil444.8KN/AWeast and Grasselli, 1989BS
Tboil442.65KN/ALevi and Nicholls, 1958Uncertainty assigned by TRC = 2. K; TRC
Tboil437.15KN/AMuller, 1887Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus186.81KN/AClements, Wise, et al., 1953Uncertainty assigned by TRC = 0.16 K; TRC
Tfus203.KN/ABuck, Coles, et al., 1949Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Ttriple250.78KN/ALebedev and Rabinovich, 1971Uncertainty assigned by TRC = 0.02 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
334.70.024Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.4329.AStephenson and Malanowski, 1987Based on data from 314. to 385. K. See also Clements, Wise, et al., 1953, 2.; 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
340.8 to 442.34.212031584.496-66.922Buck, Coles, et al., 1949, 2Coefficents 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:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C9H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)203.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity196.1kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.15 ± 0.02PEMaier and Turner, 1973LLK
8.37PEKobayashi, Yokota, et al., 1973Vertical value; LLK

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.

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]

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Levi and Nicholls, 1958
Levi, L.; Nicholls, R.V.V., Formation of Styrene by Pyrolysis of Aromatic Heterocyclic Aldehyde- Aliphatic Acid Anhydride Mixtures on Morden Bentonite, Ind. Eng. Chem., 1958, 50, 1005. [all data]

Muller, 1887
Muller, W., Chem. Ber., 1887, 20, 1212. [all data]

Clements, Wise, et al., 1953
Clements, H.E.; Wise, K.V.; Johnson, S.E.J., Physical Properties of o-, m-, and p-Methylstyrene, J. Am. Chem. Soc., 1953, 75, 1593. [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]

Lebedev and Rabinovich, 1971
Lebedev, B.V.; Rabinovich, I.B., Heat capacities and thermodynamic functions of a-methylstyrene and poly(a-methylstyrene), Tr. Khim. Khim. Tekhnol., 1971, 1, 12-15. [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]

Clements, Wise, et al., 1953, 2
Clements, H.E.; Wise, K.V.; Johnsen, S.E.J., Physical properties of o-, m- and p-methylstyrene, J. Am. Chem. Soc., 1953, 75, 1593-1595. [all data]

Buck, Coles, et al., 1949, 2
Buck, F.R.; Coles, K.F.; Kennedy, G.T.; Morton, F., Some Nuclear-methylated Styrenes and Related Compounds, J. Chem. Soc., 1949, 2377-2383, https://doi.org/10.1039/jr9490002377 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Maier and Turner, 1973
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part 2. Phenylethylenes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 196. [all data]

Kobayashi, Yokota, et al., 1973
Kobayashi, T.; Yokota, K.; Nagakura, S., Photoelectron spectra of styrenes, J. Electron Spectrosc. Relat. Phenom., 1973, 3, 449. [all data]


Notes

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