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Tricyclo[2.2.1.0(2,6)]heptane

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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
Deltafgas80. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points

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
Deltafliquid43.4 ± 2.0kJ/molCcbSteele, 1978ALS
Deltafliquid24.0 ± 2.2kJ/molCcbHall, Smith, et al., 1973ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4227.1 ± 2.0kJ/molCcbSteele, 1978Corresponding «DELTA»fliquid = 43.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4207.8 ± 2.2kJ/molCcbHall, Smith, et al., 1973Corresponding «DELTA»fliquid = 24.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid31.0 ± 1.1kJ/molCcbKozina, Bychikhina, et al., 1976ALS
Quantity Value Units Method Reference Comment
Deltacsolid-4214.8 ± 1.0kJ/molCcbKozina, Bychikhina, et al., 1976Corresponding «DELTA»fsolid = 31.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
129.0298.15Steele, 1978DH
110.2297.Hall, Smith, et al., 1973DH

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltavap38.5kJ/molN/AOsmont, Catoire, et al., 2008AC
Deltavap38.7 ± 0.7kJ/molCSteele, 1978ALS
Deltavap38.7kJ/molN/ASteele, 1978DRB
Deltavap38.0 ± 0.08kJ/molVHall, Smith, et al., 1973ALS
Deltavap38.0kJ/molN/AHall, Smith, et al., 1973DRB
Quantity Value Units Method Reference Comment
Deltasub38.7 ± 0.7kJ/molBGSteele, 1978AC
Deltasub39.2 ± 1.1kJ/molCKozina, Bychikhina, et al., 1976, 2AC
Deltasub39.2 ± 1.1kJ/molVKozina, Bychikhina, et al., 1976ALS
Deltasub39.2kJ/molN/AKozina, Bychikhina, et al., 1976DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
38.3317.AStephenson and Malanowski, 1987Based on data from 302. - 337. K.; AC

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

Hydrogen + Tricyclo[2.2.1.0(2,6)]heptane = Norbornane

By formula: H2 + C7H10 = C7H12

Quantity Value Units Method Reference Comment
Deltar-130. ± 0.8kJ/molChydFlury, Grob, et al., 1988liquid phase; solvent: Isooctane
Deltar-136.3 ± 2.2kJ/molChydRogers, Choi, et al., 1980liquid phase; solvent: Hexane; Author was aware that data differs from previously reported values

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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C7H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.7PEDella, Pigou, et al., 1985LBLHLM
8.92 ± 0.01EIHolmes and McGillivray, 1971LLK
9.02PEBodor, Dewar, et al., 1970RDSH
9.37PEDella, Pigou, et al., 1985Vertical value; LBLHLM
9.40PEHaselbach, Heilbronner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H6+9.44 ± 0.01C2H4EIHolmes and McGillivray, 1971LLK
C6H7+10.17 ± 0.01CH3EIHolmes and McGillivray, 1971LLK
C7H9+11.3 ± 0.01HEIHolmes and McGillivray, 1971LLK

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WESTERN REGIONAL RES. USDA
Source reference COBLENTZ NO. 10429
Date 1967/08/24
Name(s) tricyclo[2.2.1.0<2,6>]heptane
NORTRICYCLENE
State SOLUTION (20% IN CCl4 FOR 4000-1320, 20% IN CS2 FOR 1320-450 CM-1) VS. SOLVENT
Instrument CARY 90 (GRATING)
Instrument parameters GRATING CHANGES AT 3000, 2000, 1200 CM-1
Path length 0.010, 0.010 CM
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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

View image of digitized spectrum (can be printed in landscape orientation).

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 Chemical Concepts
NIST MS number 156636

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.


Gas Chromatography

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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

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone857.Zenkevich, 1995Program: not specified

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Steele, 1978
Steele, W.V., The standard enthalpies of formation of a series of C7, bridged-ring hydrocarbons: norbornane, norbornene, nortricyclene, norbornadiene, and quadricyclane, J. Chem. Thermodyn., 1978, 10, 919-927. [all data]

Hall, Smith, et al., 1973
Hall, H.K., Jr.; Smith, C.D.; Baldt, J.H., Enthalpies of formation of norticyclene, norbornene, norbornadiene, and quadricyclane, J. Am. Chem. Soc., 1973, 95, 3197-3201. [all data]

Kozina, Bychikhina, et al., 1976
Kozina, M.P.; Bychikhina, L.V.; Gal'chenko, G.L.; Mil'vitskaya, E.M.; Ordubadi, M.; Plate, A.F., Enthalpies of nortricyclene and norbornene formation, Dokl. Akad. Nauk SSSR, 1976, 226, 1105-1108. [all data]

Osmont, Catoire, et al., 2008
Osmont, Antoine; Catoire, Laurent; Gokalp, Iskender, Physicochemical Properties and Thermochemistry of Propellanes, Energy Fuels, 2008, 22, 4, 2241-2257, https://doi.org/10.1021/ef8000423 . [all data]

Kozina, Bychikhina, et al., 1976, 2
Kozina, M.P.; Bychikhina, L.V.; Gal'chenko, G.V.; Milwitskaya, E.M.; Ordubade, M.; Plate, A.F., Dokl. Akad. Nauk SSSR, 1976, 226, 1105. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Flury, Grob, et al., 1988
Flury, P.; Grob, C.A.; Wang, G.Y.; Lennatz, H.-W.; Roth, W.R., 113. Norbornanes. Bridging strain in norbornyl and oxanorbornyl cations, Helv. Chim. Acta, 1988, 71, 1017-1024. [all data]

Rogers, Choi, et al., 1980
Rogers, D.W.; Choi, L.S.; Girellini, R.S., Heats of hydrogenation and formation of quadricyclene, norbornadiene, norbornene, and nortricyclene, J. Phys. Chem., 1980, 84, 1810-1814. [all data]

Della, Pigou, et al., 1985
Della, E.W.; Pigou, P.E.; Livett, M.K.; Peel, J.B., The photoelectron spectrum of 1-bromotricyclene, Aust. J. Chem., 1985, 38, 69. [all data]

Holmes and McGillivray, 1971
Holmes, J.L.; McGillivray, D., The mass spectra of isomeric hydrocarbons-I: Norbornene and nortricyclene; The mechanisms and energetics of their fragmentations, Org. Mass Spectrom., 1971, 5, 1349. [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]

Haselbach, Heilbronner, et al., 1972
Haselbach, E.; Heilbronner, E.; Musso, H.; Schmelzer, A., Notiz uber die Photoelektronen-Spektren des Nortricyclens und des Triasterans, Helv. Chim. Acta, 1972, 55, 302. [all data]

Zenkevich, 1995
Zenkevich, I.G., Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic Compounds, Z. Anal. Chem., 1995, 50, 10, 1048-1056. [all data]


Notes

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