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«alpha»-Methylstyrene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas118.3 ± 1.4kJ/molEqkGuthrie, 1978ALS
Quantity Value Units Method Reference Comment
Deltacgas-5083.77kJ/molCcbKrall and Roberts, 1958Corresponding «DELTA»fgas = 113.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
45.5250.Thermodynamics Research Center, 1997p=1 bar.; GT
57.42100.
73.78150.
94.14200.
128.36273.15
140.49298.15
141.38300.
187.68400.
227.07500.
259.1600.
285.1700.
306.5800.
324.3900.
339.31000.
352.01100.
362.71200.
371.91300.
379.81400.
386.51500.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-5041.18kJ/molCcbRoberts and Jessup, 1951Corresponding «DELTA»fliquid = 70.42 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5093.2kJ/molCcbLemoult, 1911Corresponding «DELTA»fliquid = 123. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5000.3kJ/molCcbAuwsers, Roth, et al., 1910Corresponding «DELTA»fliquid = 30. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid243.8J/mol*KN/ALebedev and Rabinovich, 1971DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
202.2300.Lebedev and Rabinovich, 1971T = 60 to 300 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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, Kenneth Kroenlein 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
rhoc2.44mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap48.9 ± 0.3kJ/molGSVerevkin, 1999Based on data from 274. - 314. K.; AC
Deltavap48.6 ± 0.4kJ/molEBSteele, Chirico, et al., 1997, 2Based on data from 331. - 467. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
49.2 ± 0.3294.GSVerevkin, 1999Based on data from 274. - 314. K.; AC
45.9 ± 0.3340.EBSteele, Chirico, et al., 1997, 2Based on data from 331. - 467. K.; AC
43.3 ± 0.3380.EBSteele, Chirico, et al., 1997, 2Based on data from 331. - 467. K.; AC
40.6 ± 0.3420.EBSteele, Chirico, et al., 1997, 2Based on data from 331. - 467. K.; AC
37.7 ± 0.5460.EBSteele, Chirico, et al., 1997, 2Based on data from 331. - 467. K.; AC
44.3358.AStephenson and Malanowski, 1987Based on data from 343. - 493. K.; AC
44.8368.AStephenson and Malanowski, 1987Based on data from 353. - 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 - 438.65.219672326.8677.23Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

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

Entropy of fusion

DeltafusS (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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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

Hydrogen chloride + α-Methylstyrene = Benzene, (1-chloro-1-methylethyl)-

By formula: HCl + C9H10 = C9H11Cl

Quantity Value Units Method Reference Comment
Deltar-36.8 ± 1.9kJ/molCmArnett and Pienta, 1980liquid phase; solvent: Methylene chloride; Hydrochlorination; ALS
Deltar-51.9 ± 4.6kJ/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrochlorination; ALS

C9H9- + Hydrogen cation = α-Methylstyrene

By formula: C9H9- + H+ = C9H10

Quantity Value Units Method Reference Comment
Deltar1613. ± 23.kJ/molG+TSBartmess and Burnham, 1984gas phase; between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 23.kJ/molIMRBBartmess and Burnham, 1984gas phase; between H2O, MeOH; B

Hydrogen + α-Methylstyrene = Benzene, (1-methylethyl)-

By formula: H2 + C9H10 = C9H12

Quantity Value Units Method Reference Comment
Deltar-111.3 ± 2.1kJ/molChydAbboud, Jimenez, et al., 1995liquid phase; solvent: Hyrocarbon; Like gas phase; ALS

Hydrogen bromide + α-Methylstyrene = Benzene, (1-bromo-1-methylethyl)-

By formula: HBr + C9H10 = C9H11Br

Quantity Value Units Method Reference Comment
Deltar-63.6 ± 5.4kJ/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrobromination; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

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

View image of digitized spectrum (can be printed in landscape orientation).

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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-2072
NIST MS number 229186

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Guthrie, 1978
Guthrie, J.P., Equilibrium constants for a series of simple aldol condensations, and linear free energy relations with other carbonyl addition reactions, Can. J. Chem., 1978, 56, 962-973. [all data]

Krall and Roberts, 1958
Krall, R.E.; Roberts, J.D., Strain variation in the unsaturated cyclobutane ring, Am. Chem. Soc. Div. Pet. Chem., 1958, 3, 63-68. [all data]

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]

Roberts and Jessup, 1951
Roberts, D.E.; Jessup, R.S., Heat of polymerization of alpha-methylstyrene from heats of combustion of monomer and four polymer fractions, J. Res. NBS, 1951, 46, 11-17. [all data]

Lemoult, 1911
Lemoult, M.P., Thermochimie. - Recherches sur les derives du styrolene; rectification de quelques erreurs experimentales, Compt. Rend., 1911, 152, 1402-1404. [all data]

Auwsers, Roth, et al., 1910
Auwsers, K.; Roth, W.A.; Eisenlohr, F., III. Verbrennungswarmen von Terpenen und Styrolen, Justus Liebigs Ann. Chem., 1910, 267-290. [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]

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 «alpha»-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, «alpha»-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]

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]

Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J., Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions, J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]

Nesterova, Kovzel, et al., 1977
Nesterova, T.N.; Kovzel, E.N.; Karaseva, S.Ya.; Rozhnov, A.M., Heats of reaction of the hydrohalogenation of styrene and «alpha»-methylstyrene, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 132. [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]

Abboud, Jimenez, et al., 1995
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.; Podosenin, A.; Rogers, D.W.; Liebman, J.F., Interrelations of the energetics of amides and alkenes: enthalpies of formation of N,N-dimethyl dertivatives of pivalamide, 1-adamantylcarboxamide and benzamide, and of styrene and its a-, trans-«beta»- and «beta»,«beta»-methylated derivates, J. Phys. Org. Chem., 1995, 8, 15-25. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References