α-Methylstyrene

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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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil438. ± 4.KAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus249.05KN/AAnonymous, 1952Uncertainty assigned by TRC = 0.3 K; TRC
Tfus247.22KN/AAnonymous, 1946Uncertainty assigned by TRC = 0.6 K; TRC
Tfus249.94KN/AStull, 1945Uncertainty assigned by TRC = 0.25 K; TRC
Tfus244.83KN/AAnonymous, 1943Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc645.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Pc35.50barN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 3.00 bar; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
ρc2.44mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap48.9 ± 0.3kJ/molGSVerevkin, 1999Based on data from 274. to 314. K.; AC
Δvap48.6 ± 0.4kJ/molEBSteele, Chirico, et al., 1997, 2Based on data from 331. to 467. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
49.2 ± 0.3294.GSVerevkin, 1999Based on data from 274. to 314. K.; AC
45.9 ± 0.3340.EBSteele, Chirico, et al., 1997, 2Based on data from 331. to 467. K.; AC
43.3 ± 0.3380.EBSteele, Chirico, et al., 1997, 2Based on data from 331. to 467. K.; AC
40.6 ± 0.3420.EBSteele, Chirico, et al., 1997, 2Based on data from 331. to 467. K.; AC
37.7 ± 0.5460.EBSteele, Chirico, et al., 1997, 2Based on data from 331. to 467. K.; AC
44.3358.AStephenson and Malanowski, 1987Based on data from 343. to 493. K.; AC
44.8368.AStephenson and Malanowski, 1987Based on data from 353. to 413. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
280.6 to 438.65.219672326.8677.23Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.924250.78Lebedev and Rabinovich, 1971DH
11.92250.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
47.55250.78Lebedev and Rabinovich, 1971DH

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

Go To: Top, Phase change data, References, Notes

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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C9H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)864.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity835.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.3 ± 0.1EIKoppel, Schwarz, et al., 1974LLK
8.18 ± 0.04EIBenito, Seidl, et al., 1973LLK
8.35 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.50PEChizhov, Timoshenko, et al., 1986Vertical value; LBLHLM
8.52PEKobayashi, Yokota, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H9+11.8 ± 0.1HEIKoppel, Schwarz, et al., 1974LLK

De-protonation reactions

C9H9- + Hydrogen cation = α-Methylstyrene

By formula: C9H9- + H+ = C9H10

Quantity Value Units Method Reference Comment
Δr1613. ± 23.kJ/molG+TSBartmess and Burnham, 1984gas phase; between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Δr1586. ± 23.kJ/molIMRBBartmess and Burnham, 1984gas phase; between H2O, MeOH; B

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

Anonymous, 1952
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]

Anonymous, 1946
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1946. [all data]

Stull, 1945
Stull, D.R., Personal Commun., Dow Chemical Co., 1945. [all data]

Anonymous, 1943
Anonymous, R., , Sunbury Rep. No. 2176, Anglo-Iranian Oil Co., 1943. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturated Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Trimethyl benzene, Pentafluorophenol, 4-tert-Butylcatechol, .alp, J. Chem. Eng. Data, 1997, 42, 1008-20. [all data]

Verevkin, 1999
Verevkin, Sergey P., Thermochemical investigation on α-methyl-styrene and parent phenyl substituted alkenes, Thermochimica Acta, 1999, 326, 1-2, 17-25, https://doi.org/10.1016/S0040-6031(98)00585-1 . [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Triethylbenzene, Pentafluorophenol, 4- tert -Butylcatechol, α-Methylstyrene, and N , N '-Bis(2-hydroxyethyl)ethylenediamine, J. Chem. Eng. Data, 1997, 42, 6, 1008-1020, https://doi.org/10.1021/je970102d . [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]

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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Koppel, Schwarz, et al., 1974
Koppel, C.; Schwarz, H.; Bohlmann, F., Elektronenstossinduzierte fragmentierung von acetylenverbindungen. VIII. Struktur der stabilen und instabilen ionen[C9H9]+ aus isomeren C9H10- kohlenwasserstoffen, Org. Mass Spectrom., 1974, 8, 25. [all data]

Benito, Seidl, et al., 1973
Benito, I.; Seidl, H.; Bock, H., Efectos electronicos y estericos de sustituyentes alquilicos y silicicos sobre el sistema electronico π del estireno, Rev. Fac. Cienc. Univ. Oviedo, 1973, 14, 95. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Chizhov, Timoshenko, et al., 1986
Chizhov, Y.V.; Timoshenko, M.M.; Kleimenov, V.I.; Borisov, Y.A.; Zol'nikova, G.P.; Kravtsov, D.N.; Kritskaya, I.I., Investigation of the mechanism of fragment coordination of aromatic molecules with transition metals by photoelectron spectroscopy - tricarbonyliron complexes, J. Struct. Chem., 1986, 27, 401. [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]

Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R., Effect of central substituents on the gas phase acidities of propenes, J. Org. Chem., 1984, 49, 1382. [all data]


Notes

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