1,3-Pentadiene, 3-methyl-

• Formula: C₆H₁₀
• Molecular weight: 82.1436
• IUPAC Standard InChI: InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: BOGRNZQRTNVZCZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 4549-74-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • 1,3-Pentadiene, 3-methyl-, (E)-
  • 1,3-Pentadiene, 3-methyl-, (Z)-
• Other names: 3-Methyl-1,3-pentadiene; CH3CH=C(CH3)CH=CH2
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C₆H₁₀⁺ (ion structure unspecified)

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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Additional Data

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]

Marvel and Williams, 1948
Marvel, C.S.; Williams, J.L.R., 2-Alkyl-1,3-butadienes, J. Am. Chem. Soc., 1948, 70, 3842. [all data]

Nazarov, Azerbaev, et al., 1948
Nazarov, I.N.; Azerbaev, I.N.; Rakcheeva, V.N., Zh. Obshch. Khim., 1948, 18, 407. [all data]

Whitby and Gallay, 1932
Whitby, G.S.; Gallay, W., Studies of polymers and polymerization V. The influence of methyl and \ phenyl substitution on the polymerizability of butadiene, Can. J. Res., 1932, 6, 280. [all data]

Fisher and Chittenden, 1930
Fisher; Chittenden, Ind. Eng. Chem., 1930, 22, 869. [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]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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