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1,3,5,7-Tetramethyl-adamantane

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Gas phase thermochemistry data

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

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
Deltafgas-284.6 ± 6.9kJ/molCcbClark, Knox, et al., 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -281.0 ± 2.1 kJ/mol; Gas flow technique for Hs, see Clark, Knox, et al., 1975
Deltafgas-282.1 ± 7.0kJ/molCcbSteele and Watt, 1977Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -295. ± 4. kJ/mol

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

Quantity Value Units Method Reference Comment
Deltafsolid-362.1 ± 1.9kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975
Deltafsolid-379. ± 4.kJ/molCcbSteele and Watt, 1977 
Quantity Value Units Method Reference Comment
Deltacsolid-8577.0 ± 2.0kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975; Corresponding «DELTA»fsolid = -362.1 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-8560. ± 4.kJ/molCcbSteele and Watt, 1977Corresponding «DELTA»fsolid = -379. kJ/mol (simple calculation by NIST; no Washburn corrections)

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, Kenneth Kroenlein 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
Tfus337.2KN/AClark, Knox, et al., 1977Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltasub81.13kJ/molVClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS
Deltasub77.5kJ/molN/AClark, Knox, et al., 1979DRB
Deltasub84. ± 1.kJ/molVSteele and Watt, 1977ALS
Deltasub96.9kJ/molN/ASteele and Watt, 1977DRB
Deltasub83.7 ± 1.3kJ/molBGSteele and Watt, 1977Based on data from 310. - 350. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
81. ± 11.305.TSGCClark, Knox, et al., 1975, 2Based on data from 295. - 315. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.82337.2Clark, Knox, et al., 1977AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
1.25183.3Clark, Knox, et al., 1977CAL
29.12337.2

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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
9.23PIBodor, Dewar, et al., 1970

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, References, Notes

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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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 V.G.Zaikin, TIPS, Russian Acad. Sci.
NIST MS number 214987

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Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.1162.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane110.1169.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane125.1176.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane140.1185.Bogoslovsky, Anvaer, et al., 1978 
CapillaryApiezon L140.1214.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane110.1169.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane125.1176.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane140.1185.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1136.Yang, Wang, et al., 200630. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 6. K/min; Tend: 300. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.

Clark, Knox, et al., 1979
Clark, T.; Knox, T.M.O.; McKervey, M.A.; Mackle, H.; Rooney, J.J., Thermochemistry of bridged-ring substances. Enthalpies of formation of some diamondoid hydrocarbons and of perhydroquinacene. Comparisons with data from empirical force field calculations, J. Am. Chem. Soc., 1979, 101, 2404-2410. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Clark, Knox, et al., 1975
Clark, T.; Knox, T.M.; Mackle, H.; McKervey, M.A.; Rooney, J.J., Calorimetric evaluation of enthalpies of formation of some bridged-ring hydrocarbons. Comparison with data from empirical force field calculations., J. Am. Chem. Soc., 1975, 97, 3835-3836. [all data]

Steele and Watt, 1977
Steele, W.V.; Watt, I., The standard enthalpies of formation of adamantanoid compounds 4. Methyladamantanes, J. Chem. Thermodyn., 1977, 9, 843-849. [all data]

Clark, Knox, et al., 1977
Clark, Timothy; Knox, Trevor Mc.O.; Mackle, Henry; McKervey, M. Anthony, Order--disorder transitions in substituted adamantanes, J. Chem. Soc., Faraday Trans. 1, 1977, 73, 0, 1224, https://doi.org/10.1039/f19777301224 . [all data]

Clark, Knox, et al., 1975, 2
Clark, Timothy; Knox, Trevor; Mackle, Henry; McKervey, M. Anthony; Rooney, John J., Heats of sublimation of some cage hydrocarbons by a temperature scanning technique, J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 2107, https://doi.org/10.1039/f19757102107 . [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]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Hála, Eyem, et al., 1970
Hála, S.; Eyem, J.; Burkhard, J.; Landa, S., Retention indices of adamantanes, J. Chromatogr. Sci., 1970, 8, 4, 203-209, https://doi.org/10.1093/chromsci/8.4.203 . [all data]

Yang, Wang, et al., 2006
Yang, C.; Wang, Z.D.; Hollebone, B.P.; Peng, X.; Fingas, M.; Landriault, M., GC/MS Quantitation of diamondoid compounds in crude oils and petroleum products, Environmental Forensics, 2006, 7, 4, 377-390, https://doi.org/10.1080/15275920600996396 . [all data]


Notes

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