Benzene, (1-methylenepropyl)-

• Formula: C₁₀H₁₂
• Molecular weight: 132.2023
• IUPAC Standard InChI: InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: SQHOHKQMTHROSF-UHFFFAOYSA-N Copy
• CAS Registry Number: 2039-93-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Styrene, α-ethyl-; α-Ethylstyrene; 1-Butene, 2-phenyl-; 2-Phenyl-1-butene
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

Enthalpy of vaporization

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

Additional Data

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Adam, Baeza, et al., 1972
Adam, W.; Baeza, J.; Liu, J.-C., Stereospecific Introduction o f Double Bonds via Thermolysis of β-Lactones, J. Am. Chem. Soc., 1972, 94, 2000. [all data]

Searles, Nickerson, et al., 1959
Searles, S.; Nickerson, R.G.; Witsiepe, W.K., Oxetanes. IX. Structural and Solvent Effects in the Reaction of γ-Bromo Alcohols with Base, J. Org. Chem., 1959, 24, 1839. [all data]

Overberger and Tanner, 1955
Overberger, C.G.; Tanner, D., Ionic Polymerization. A Convenient Synthesis of a.pha.- and β- Alkylstyrenes. THe Effect of an α-Alkyl Group on the Ultraviolet Absorption Spectra, J. Am. Chem. Soc., 1955, 77, 369. [all data]

Cram, 1952
Cram, D.J., Studies in Stereochemistry VI. The Mechanisms of the E1 and Hydrogen Migration Reactions in the 3-Phenyl-2-butanol System, J. Am. Chem. Soc., 1952, 74, 2137. [all data]

Verevkin and Ebenhoch, 1999
Verevkin, Sergey P.; Ebenhoch, Jochen, Structural Chemistry, 1999, 10, 6, 401-409, https://doi.org/10.1023/A:1022470804409 . [all data]

Svob, Deur-Siftar, et al., 1974
Svob, V.; Deur-Siftar, D.; Cramers, C.A., Mechanisms of the thermal degradation of alkylbenzenes, J. Chromatogr., 1974, 91, 659-675, https://doi.org/10.1016/S0021-9673(01)97946-4 . [all data]

Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D., Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products, J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6 . [all data]

Mandelshtam, Kharicheva, et al., 1991
Mandelshtam, T.V.; Kharicheva, E.M.; Gorobets, I.A.; Zenkevich, I.G.; Kostikov, R.R.; Porokhovnikova, E.B., Synthesis and Chromato Mass Spectrometric Investigation of alpha-Alkoxystyrenes, Zh. Org. Khim. (Rus.), 1991, 27, 4, 684-690. [all data]

Hathcock and Bertsch, 1993
Hathcock, S.; Bertsch, W., Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation, J. Hi. Res. Chromatogr., 1993, 16, 11, 651-659, https://doi.org/10.1002/jhrc.1240161106 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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