trans-β-Methylstyrene

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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

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

By formula: H2 + C9H10 = C9H12

Quantity Value Units Method Reference Comment
Δr-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
Δr-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
Δr-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
Δr-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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101100.1019.Engewald, Topalova, et al., 1987Column length: 50. m; Column diameter: 0.30 mm
CapillarySE-3070.1009.9Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M70.1390.3Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
PackedCarbowax 20M150.1430.1Ellis and Still, 1979Chromosorb W, AW-DMCS
PackedCarbowax 20M115.1423.6Ellis and Still, 1979Chromosorb G
PackedCarbowax 20M115.1423.6Ellis and Still, 1979Chromosorb G
CapillaryCarbowax 20M90.1364.0Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-11008.Fernandez, Lizzani-Cuvelier, et al., 200550. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1364.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1360.Fernandez, Lizzani-Cuvelier, et al., 200550. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes

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

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-β- and β,β-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 π 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]

Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr., Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes, Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864 . [all data]

Tóth, 1983
Tóth, T., Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures, J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3 . [all data]

Ellis and Still, 1979
Ellis, T.S.; Still, R.H., Thermal degradation of polymers. XXI. Vacuum pyrolysis of poly(m-N,N-dimethylaminostyrene); the products volatile at pyrolysis temperature, liquid at room temperature, J. Appl. Polym. Sci., 1979, 23, 10, 2837-2854, https://doi.org/10.1002/app.1979.070231002 . [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Chemical composition of the essential oils from Turkish and Honduras Styrax, Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370 . [all data]

Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References