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Benzene, (1-methylenepropyl)-

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Phase change data

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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

Quantity Value Units Method Reference Comment
Tboil455.2KN/AWeast and Grasselli, 1989BS
Tboil453.KN/AAdam, Baeza, et al., 1972Uncertainty assigned by TRC = 3. K; TRC
Tboil452.65KN/ASearles, Nickerson, et al., 1959Uncertainty assigned by TRC = 2. K; TRC
Tboil454.15KN/AOverberger and Tanner, 1955Uncertainty assigned by TRC = 2. K; TRC
Tboil455.15KN/ACram, 1952Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltavap51.8 ± 0.3kJ/molGSVerevkin and Ebenhoch, 1999Based on data from 274. - 313. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
52.0 ± 0.3294.GSVerevkin and Ebenhoch, 1999Based on data from 274. - 313. 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:


IR Spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

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


Mass spectrum (electron ionization)

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118149

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.


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
CapillarySE-3065.1058.4Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.1058.4Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-1011058.Mandelshtam, Kharicheva, et al., 1991Helium, 50. C @ 0. min, 3. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-11037.Hathcock and Bertsch, 1993100. m/0.25 mm/0.5 «mu»m; Program: not specified

References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 «beta»-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 «gamma»-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 «beta»- Alkylstyrenes. THe Effect of an «alpha»-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

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References