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trans-«beta»-Methylstyrene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltacgas-5087.95kJ/molCcbKrall and Roberts, 1958Corresponding «DELTA»fgas = 117.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
Deltacliquid-4985.2kJ/molCcbAuwsers, Roth, et al., 1910Corresponding «DELTA»fliquid = 15. kJ/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

Quantity Value Units Method Reference Comment
Tboil450. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus246.65KN/APark and Wright, 1954Uncertainty assigned by TRC = 1. K; TRC
Tfus243.23KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.2 K; TRC
Tfus243.82KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.15 K; TRC
Tfus243.08KN/AAnonymous, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tfus242.15KN/ALespieau, 1930Uncertainty assigned by TRC = 4. K; cis-trans isomer not identified, but m.p. corr. approx. to cis-; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
46.4306.AStephenson and Malanowski, 1987Based on data from 291. - 452. K. See also Stull, 1947.; AC

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, Gas phase ion energetics 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: 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

Hydrogen + trans-β-Methylstyrene = Benzene, propyl-

By formula: H2 + C9H10 = C9H12

Quantity Value Units Method Reference Comment
Deltar-105.9 ± 1.3kJ/molChydAbboud, Jimenez, et al., 1995liquid phase; solvent: Hyrocarbon; Like gas phase

(Z)-1-Phenylpropene = trans-β-Methylstyrene

By formula: C9H10 = C9H10

Quantity Value Units Method Reference Comment
Deltar-11.0 ± 0.3kJ/molEqkTaskinen and Lindholm, 1994liquid phase; solvent: DMSO; Heat of isomerization

Benzene, 2-propenyl- = trans-β-Methylstyrene

By formula: C9H10 = C9H10

Quantity Value Units Method Reference Comment
Deltar-23.3 ± 0.5kJ/molEqkTaskinen and Lindholm, 1994liquid phase; solvent: DMSO

trans-β-Methylstyrene = Benzene, 2-propenyl-

By formula: C9H10 = C9H10

Quantity Value Units Method Reference Comment
Deltar-20.1kJ/molEqkTaskinen and Lindholm, 1994gas phase; Heat of isomerization

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)834.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity805.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.1PEKobayashi, Arai, et al., 1981LLK
8.20 ± 0.02PEMaier and Turner, 1973LLK
7.84 ± 0.04EIBenito, Seidl, et al., 1973LLK
8.34PEKobayashi, Arai, et al., 1981Vertical value; LLK
8.32PESalisbury, 1974Vertical value; LLK

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Download spectrum in JCAMP-DX format.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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


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.

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]

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]

Park and Wright, 1954
Park, W.R.R.; Wright, G.F., J. Org. Chem., 1954, 19, 1435. [all data]

Anonymous, 1953
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Company, 1953. [all data]

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

Lespieau, 1930
Lespieau, R., Preparation of the «beta» Dibromides of Trimethylenic Hydrocarbons, Bull. Soc. Chim. Fr., 1930, 47, 847. [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]

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]

Taskinen and Lindholm, 1994
Taskinen, E.; Lindholm, N., Relative thermodynamic stabilities of the isomeric propenylbenzenes, J. Phys. Org. Chem., 1994, 7, 256-258. [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]

Kobayashi, Arai, et al., 1981
Kobayashi, T.; Arai, T.; Sakuragi, H.; Tokumaru, K.; Utsunomiya, C., A new nethod for conformational analysis by photoelectron spectroscopy with application to alkyl-substituted styrenes, Bull. Chem. Soc. Jpn., 1981, 54, 1658. [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]

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

Salisbury, 1974
Salisbury, K., Quenching of the fluorescence of styrenes by ground state oxygen, J. Photochem., 1974, 2, 401. [all data]


Notes

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