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(Z)-1-Phenylpropene

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Deltacgas-1217.05kcal/molCcbKrall and Roberts, 1958Corresponding «DELTA»fgas = 29.01 kcal/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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil440.58KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.3 K; TRC
Tboil441.65KN/AMixer, Heck, et al., 1953Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus203.4KN/APark and Wright, 1954Uncertainty assigned by TRC = 1. K; TRC
Tfus211.23KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.2 K; TRC
Tfus211.47KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.15 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.7363.AStephenson and Malanowski, 1987Based on data from 348. - 498. K.; 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, Phase change data, Gas phase ion energetics 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: 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

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

By formula: C9H10 = C9H10

Quantity Value Units Method Reference Comment
Deltar-2.63 ± 0.07kcal/molEqkTaskinen and Lindholm, 1994liquid phase; solvent: DMSO; Heat of isomerization

Benzene, 2-propenyl- = (Z)-1-Phenylpropene

By formula: C9H10 = C9H10

Quantity Value Units Method Reference Comment
Deltar-2.9 ± 0.1kcal/molEqkTaskinen and Lindholm, 1994liquid phase; solvent: DMSO; Heat of isomerization

Gas phase ion energetics data

Go To: Top, Gas 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 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)199.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity193.0kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.15PEKobayashi, Arai, et al., 1981LLK
8.15PEFu and Dunbar, 1978LLK
8.45PESalisbury, 1974LLK
8.48PEKobayashi, Arai, et al., 1981Vertical value; LLK
8.28PEFu and Dunbar, 1978Vertical value; LLK

Mass spectrum (electron ionization)

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

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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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 113518

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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.

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]

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

Mixer, Heck, et al., 1953
Mixer, R.Y.; Heck, R.F.; Winstein, S.; Young, W.G., cis- and trans-Propenylbenzene and Their Azeotropes with n-Decane, J. Am. Chem. Soc., 1953, 75, 4094. [all data]

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

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]

Fu and Dunbar, 1978
Fu, E.W.; Dunbar, R.C., Photodissociation spectroscopy and structural rearrangements in ions of cyclooctatetraene, styrene and related molecules, J. Am. Chem. Soc., 1978, 100, 2283. [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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References