1-Octene

• Formula: C₈H₁₆
• Molecular weight: 112.2126
• IUPAC Standard InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3 Copy

  
• IUPAC Standard InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-66-0
• 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: α-Octene; α-Octylene; n-1-Octene; Caprylene; 1-C8H16; Oct-1-ene; Octene-1; Neodene 8; Octylene; 1-n-Octene; NSC 8457; SHOP C8
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
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  • Gas Phase Kinetics Database
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  =

By formula: C₈H₁₆ + H₂ = C₈H₁₈

=  + 

By formula: C₈H₁₈ = C₈H₁₆ + H₂

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 as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID (NEAT) $$ SOURCE - PHILLIPS PETROLEUM; BECKMAN IR-12 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution
• VAPOR (15 MICROLITER AT 150 C); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2-3 CM^-1 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

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

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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.

Bretschneider and Rogers, 1970
Bretschneider, E.; Rogers, D.W., A new microcalorimeter: heats of hydrogenation of four monoolefins, Mikrochim. Acta, 1970, 482-490. [all data]

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C₇, C₈, and C₁₀ monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

Eliseev, 1986
Eliseev, N.A., Thermodynamic calculation of the equilibrium composition of isomeric octenes in dehydrogenation of n-octane, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 26-29. [all data]

Rang, Martinson, et al., 1974
Rang, S.; Martinson, E.; Muurisepp, M., Ionization potentials of unsaturated hydrocarbons. 1. n-Alkenes, Eesti NSV Teaduste Akadeemia Toimetised 23, Eesti. NSV Tead. Akad. Toim., 1974, 352. [all data]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Price and Klevens, 1949
Price, W.C.; Klevens, H.B., J. Chem. Phys., 1949, 17, 466. [all data]

Notes

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• Symbols used in this document:
  

  IE (evaluated)	Recommended ionization energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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