Benzene, 1-methyl-4-butyl

• Formula: C₁₁H₁₆
• Molecular weight: 148.2447
• IUPAC Standard InChI: InChI=1S/C11H16/c1-3-4-5-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: SBBKUBSYOVDBBC-UHFFFAOYSA-N Copy
• CAS Registry Number: 1595-05-7
• 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: Benzene, 1-butyl-4-methyl-; 1-Butyl-4-methylbenzene; 1-Methyl-4-n-butylbenzene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₁₁H₁₆⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

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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]

Schorigin, Issaguljanz, et al., 1933
Schorigin, P.; Issaguljanz, W.; Gussewa, A., Chem. Ber., 1933, 66, 1426. [all data]

Marvel, Hager, et al., 1927
Marvel, C.S.; Hager, F.D.; Coffman, D.D., The mechanism of the reaction between lithum N-butyl and various organic halogen compounds., J. Am. Chem. Soc., 1927, 49, 2323. [all data]

Niemczycki, 1899
Niemczycki, S., Bull. Int. Acad. Sci. Cracovie, 1899, 473. [all data]

Schmidt and Schoeller, 1941
Schmidt, A.W.; Schoeller, V., Physical data of p-alkyl toluenes., Ber. Dtsch. Chem. Ges. A, 1941, 74, 258. [all data]

Lightner, Majeti, et al., 1972
Lightner, D.A.; Majeti, S.; Nicoletti, R.; Thommen, E., Benzyl vs. tropylium ions in the electron impact induced decomposition of n- butylbenzenes, Intra-Sci. Chem. Rep., 1972, 6, 113. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  Tfus	Fusion (melting) point

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