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1,3,5-Trimethyladamantane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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-255. ± 4.2kJ/molCcbSteele and Watt, 1977 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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
Deltafsolid-333. ± 4.2kJ/molCcbSteele and Watt, 1977 
Quantity Value Units Method Reference Comment
Deltacsolid-7927.4 ± 4.2kJ/molCcbSteele and Watt, 1977Corresponding «DELTA»fsolid = -332. 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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
Tfus253.6KN/AClark, Knox, et al., 1977Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap51.7 ± 0.2kJ/molN/ADruzhinina, Varushchenko, et al., 2000See also Melkhanova, Pimenova, et al., 2000.; AC
Quantity Value Units Method Reference Comment
Deltasub78. ± 1.kJ/molVSteele and Watt, 1977ALS
Deltasub78.0kJ/molN/ASteele and Watt, 1977DRB
Deltasub77.8 ± 1.3kJ/molBGSteele and Watt, 1977Based on data from 300. - 360. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
1.73253.6Clark, Knox, et al., 1977AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
27.61228.2Clark, Knox, et al., 1977CAL
6.82253.6

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:


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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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 214982

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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
CapillarySE-30190.1194.Sarkisova and Pimerzin, 2005He; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-30110.1143.Bogoslovsky, Anvaer, et al., 1978 
CapillarySE-30120.1148.Bogoslovsky, Anvaer, et al., 1978 
CapillarySE-30130.1152.Bogoslovsky, Anvaer, et al., 1978 
CapillarySE-30140.1157.Bogoslovsky, Anvaer, et al., 1978 
CapillarySE-30145.1163.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane110.1153.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane125.1161.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane140.1170.Bogoslovsky, Anvaer, et al., 1978 
PackedSE-30120.1148.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30130.1152.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30140.1157.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
CapillarySqualane100.1147.Mitra, Mohan, et al., 1974, 2H2; Column length: 50. m; Column diameter: 0.2 mm
CapillaryApiezon L140.1204.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane110.1153.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane125.1161.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySqualane140.1170.Hála, Eyem, et al., 1970N2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-30145.1163.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30160.1173.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30175.1185.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30190.1194.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1128.Yang, Wang, et al., 200630. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 6. K/min; Tend: 300. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M145.1274.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M160.1292.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M175.1310.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1163.Bayat and Abad, 2011Program: not specified
CapillaryPolydimethyl siloxane1163.Bayat and Abad M.F.Y., 2011Program: not specified

References

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

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]

Druzhinina, Varushchenko, et al., 2000
Druzhinina, A.I.; Varushchenko, R.M.; Sarkisova, V.S.; Pimerzin, A.A., The low-temperature heat capacity and the thermodynamic functions of 1,3,5-trimethyladamantane, Zh. Fiz. Khim., 2000, 74, 3, 404. [all data]

Melkhanova, Pimenova, et al., 2000
Melkhanova, S.V.; Pimenova, S.M.; Kolesov, V.P.; Pimerzin, A.A.; Sarkisova, V.S., The standard molar enthalpies of formation of some alkyladamantanes, The Journal of Chemical Thermodynamics, 2000, 32, 10, 1311-1317, https://doi.org/10.1006/jcht.2000.0691 . [all data]

Sarkisova and Pimerzin, 2005
Sarkisova, V.S.; Pimerzin, A.A., Gas chromatographic characteristics and boiling points of diadamantanes, Pet. Chem. USSR (Engl. Transl.), 2005, 45, 1, 63-66. [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]

Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A., Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography, J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4 . [all data]

Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A., Gas chromatographic analysis of complex hydrocarbon mixtures, J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0 . [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]

Burkhard, Vais, et al., 1969
Burkhard, J.; Vais, J.; Vodicka, L.; Landa, S., Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivatives, J. Chromatogr., 1969, 42, 207-218, https://doi.org/10.1016/S0021-9673(01)80617-8 . [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]

Bayat and Abad, 2011
Bayat, Z.; Abad, M.F.Y., Quantitative structure-property relationship (QSPR) study of Kovats retention indices of some of adamantane derivatives by the genetic algorithm amd nultiply linear regression (GA-MLR) method, Petroleum Coal, 2011, 53, 2, 132-140. [all data]

Bayat and Abad M.F.Y., 2011
Bayat, Z.; Abad M.F.Y., Computational approaches to the prediction of the Kovats retention index (RI) for adamantane derivatives (AD) as a drug, J. Chem. Pharm. Res., 2011, 3, 1, 48-55. [all data]


Notes

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