Tricyclo[3.3.1.1(3,7)]decane-1-carbonitrile

• Formula: C₁₁H₁₅N
• Molecular weight: 161.2435
• IUPAC Standard InChI: InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2 Copy

  
• IUPAC Standard InChIKey: FQFZASRJFRAEIH-UHFFFAOYSA-N Copy
• CAS Registry Number: 23074-42-2
• 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: 1-Adamantanecarbonitrile; 1-Adamantane carboxylic acid nitrile; 1-Adamantyl cyanide; 1-Adamantylnitrile; 1-Cyanoadamantane; Tricyclo[3.3.1.13,7]decane-1-carbonitrile
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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 solid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

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

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.

Abboud, Jimenez, et al., 1992
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C., Structural effects on the thermochemical properties of organic compounds. III. Enthalpies of combustion, vapour pressures and enthalpies of sublimation, and standard enthalpies of formation in the gaseous phase, of adamantane-1-carboxylic acid methyl ester and of adamantane-1-carbonitrile, J. Chem. Thermodyn., 1992, 24, 1299-1304. [all data]

Meier, Dogan, et al., 1987
Meier, M.; Dogan, B.; Beckhaus, H.; Ruchardt, C., Heats of formation and heats of isomerization of isocyanides, New J. Chem., 1987, 11, 1-6. [all data]

Foulon, Amoureux, et al., 1984
Foulon, M.; Amoureux, J.P.; Sauvajol, J.L.; Cavrot, J.P.; Muller, M., Different aspects of an interesting glassy crystal: 1-cyanoadamantane, J. Phys. C, 1984, 17, 24, 4213, https://doi.org/10.1088/0022-3719/17/24/005 . [all data]

Foulon, Amoureux, et al., 2000
Foulon, M.; Amoureux, J.P.; Sauvajol, J.L.; Cavrot, J.P.; Muller, M., Different aspects of an interesting glassy crystal: 1-cyanoadamantane, J. Phys. C: Solid State Phys., 2000, 17, 24, 4213-4229, https://doi.org/10.1088/0022-3719/17/24/005 . [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:
  

  Cp,solid	Constant pressure heat capacity of solid
  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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