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

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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

Quantity Value Units Method Reference Comment
Δfgas-21.0 ± 2.6kJ/molCcbAbboud, Jimenez, et al., 1992 
Δfgas-7.5 ± 2.1kJ/molCcbMeier, Dogan, et al., 1987 

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

Quantity Value Units Method Reference Comment
Δfsolid-88.3 ± 2.5kJ/molCcbAbboud, Jimenez, et al., 1992ALS
Δfsolid-83.5 ± 1.8kJ/molCcbMeier, Dogan, et al., 1987ALS
Quantity Value Units Method Reference Comment
Δcsolid-6384.0 ± 2.1kJ/molCcbAbboud, Jimenez, et al., 1992ALS
Δcsolid-6388.8 ± 1.8kJ/molCcbMeier, Dogan, et al., 1987ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
218.6298.15Meier, Dogan, et al., 1987DH

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

Quantity Value Units Method Reference Comment
Tfus458.KN/AFoulon, Amoureux, et al., 1984Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δsub67.3 ± 0.8kJ/molVAbboud, Jimenez, et al., 1992ALS
Δsub67.3kJ/molN/AAbboud, Jimenez, et al., 1992DRB
Δsub67.2 ± 0.8kJ/molMEAbboud, Jimenez, et al., 1992Based on data from 294. to 312. K.; AC
Δsub76.0 ± 1.1kJ/molVMeier, Dogan, et al., 1987ALS
Δsub76.0kJ/molN/AMeier, Dogan, et al., 1987DRB

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
67.1 ± 0.8303.MEAbboud, Jimenez, et al., 1992Based on data from 294. to 312. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
15.0458.Foulon, Amoureux, et al., 2000AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
19.64280.Foulon, Amoureux, et al., 1984CAL
32.75458.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Quantity Value Units Method Reference Comment
Proton affinity (review)834.4kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity803.8kJ/molN/AHunter and Lias, 1998 

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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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118387

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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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