Benzonitrile, 2-methyl-

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Phase change data

Go To: Top, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil478.2KN/AWeast and Grasselli, 1989BS
Tboil477.9KN/AWright, 1961Uncertainty assigned by TRC = 0.6 K; TRC
Tboil478.KN/AWright, 1960Uncertainty assigned by TRC = 0.5 K; TRC
Tboil478.35KN/APerkin, 1896Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus262.53KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; TRC
Tfus262.75KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.25 K; TRC
Tfus260.9KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.35 K; TRC
Tfus261.1KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.02 K; TRC

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Gas phase ion energetics data

Go To: Top, Phase change 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C8H7N+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.40PEPalmer, Moyes, et al., 1980Vertical value
9.38PEKobayashi and Nagakura, 1974Vertical value

Mass spectrum (electron ionization)

Go To: Top, Phase change 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 Japan AIST/NIMC Database- Spectrum MS-NW- 823
NIST MS number 228794

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References

Go To: Top, Phase change 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.

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]

Wright, 1961
Wright, F.J., Influence of temperature on viscosity of nonassociated liquids, J. Chem. Eng. Data, 1961, 6, 454. [all data]

Wright, 1960
Wright, F.J., Latent Heat of Vaporization and Composition, Recl. Trav. Chim. Pays-Bas, 1960, 79, 784-9. [all data]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Palmer, Moyes, et al., 1980
Palmer, M.H.; Moyes, W.; Spiers, M., The electronic structure of substituted benzenes: Ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene, J. Mol. Struct., 1980, 62, 165. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted benzenes, Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References