Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-

• Formula: C₁₀H₁₈
• Molecular weight: 138.2499
• IUPAC Standard InChI: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: XOKSLPVRUOBDEW-UHFFFAOYSA-N Copy
• CAS Registry Number: 473-55-2
• 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.
• Species with the same structure:
  • Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1S-(1α,2β,5α)]-
• Stereoisomers:
  • (-)-trans-Pinane
  • Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1α,2β,5α)-
• Other names: Pinane; Dihydropinene; 2,6,6-Trimethylbicyclo(3.1.1)heptane; 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

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

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.

Gollis, Belenyessy, et al., 1962
Gollis, M.H.; Belenyessy, L.I.; Gudzinowicz, B.J.; Koch, S.D.; Smith, J.O.; Wineman, R.J., Evaluation of pure hydrocarbons as jet fuels, J. Chem. Eng. Data, 1962, 7, 331-316. [all data]

Gudinowicz, Campbell, et al., 1963
Gudinowicz, B.J.; Campbell, R.H.; Adams, J.S., Specific heat measurements of complex saturated hydrocarbons, J. Chem. Eng. Data, 1963, 8, 201-214. [all data]

Gollis, Belenyessy, et al., 1962, 2
Gollis, M.H.; Belenyessy, L.I.; Gudzinowicz, B.J.; Koch, S.D.; Smith, J.O.; Wineman, R.J., Evaluations of pure hydrocarbons as Jet Fuels, J. Chem. Eng. Data, 1962, 7, 311-316. [all data]

Pines, Hoffman, et al., 1954
Pines, H.; Hoffman, N.E.; Ipatieff, V.N., Studies in the Terpene Series XX. The Thermal Isomerization of Pinane at Atmospheric Pressure, J. Am. Chem. Soc., 1954, 76, 4412. [all data]

Pines, Olberg, et al., 1952
Pines, H.; Olberg, R.C.; Ipatieff, V.N., J. Am. Chem. Soc., 1952, 74, 4872. [all data]

Anonymous, 1942
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1942. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions

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