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9,10[1',2']-Benzenoanthracene, 9,10-dihydro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas322. ± 13.kJ/molCcbRodgers, Westrum, et al., 1973ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
283.47298.15Bencivenni L., 1979GT
355.64370.
365.01380.
374.18390.
383.17400.
391.96410.
400.53420.
409.24430.

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
Deltafsolid217.1 ± 1.3kJ/molCcbRodgers, Westrum, et al., 1973ALS
Quantity Value Units Method Reference Comment
Deltacsolid-10088.2 ± 1.2kJ/molCcbRodgers, Westrum, et al., 1973Corresponding «DELTA»fsolid = 217.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar273.97J/mol*KN/AAndrews and Westrum, 1970DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
283.1298.15Rodgers, Westrum, et al., 1973Cp given as 0.266 cal/g*K.; DH
282.67298.15Andrews and Westrum, 1970T = 5 to 550 K.; DH

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.
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple527.18KN/AAndrews and Westrum, 1970, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltasub105. ± 13.kJ/molVRodgers, Westrum, et al., 1973ALS
Deltasub104.9kJ/molN/ARodgers, Westrum, et al., 1973DRB

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
30.275527.18Andrews and Westrum, 1970DH
30.29527.2Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
57.43527.18Andrews and Westrum, 1970DH

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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
7.8PEMartin, Mayer, et al., 1983LBLHLM
7.8PEHaselbach, Neuhaus, et al., 1982LBLHLM
7.89PEMartin, Mayer, et al., 1983Vertical value; LBLHLM
7.9PEHaselbach, Neuhaus, et al., 1982Vertical value; LBLHLM

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 SOC.
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. 06101
Date 1966/03/01
Name(s) TRIPTYCENE
State SOLID (OIL MULL)
Instrument CARY 90 (GRATING)
Instrument parameters ORDER CHANGES: 3000, 2000, 1200 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-8569
NIST MS number 229295

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Theilacker and Hannover, 1966
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19665
Instrument Zeiss PMQ II
Melting point 253

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-52228.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-522179.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5365.02Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Lee's RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySE-52366.41Shlyakhov, 1984Program: not specified

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), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

Rodgers, Westrum, et al., 1973
Rodgers, D.L.; Westrum, E.F., Jr.; Andrews, J.T.S., The enthalpies of combustion and formation of [2.2]-paracyclophane and triptycene, J. Chem. Thermodyn., 1973, 5, 733-739. [all data]

Bencivenni L., 1979
Bencivenni L., Vibrational spectrum and thermodynamic functions of gaseous triptycene, J. Mol. Struct., 1979, 53, 25-29. [all data]

Andrews and Westrum, 1970
Andrews, J.T.S.; Westrum, E.F., Jr., The heat capacity and thermodynamic functions of crystalline and liquid triptycene, J. Chem. Thermodynam., 1970, 2, 245-253. [all data]

Andrews and Westrum, 1970, 2
Andrews, J.T.S.; Westrum, E.F., The heat capacity and thermodynamic functions of crystalline and liquid triptycene, J. Chem. Thermodyn., 1970, 2, 245. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Martin, Mayer, et al., 1983
Martin, H.-D.; Mayer, B.; Gleiter, R.; Schafer, W.; Vogtle, F., Photoelektronenspektroskopische untersuchung transanularer «pi»-,«sigma»- und n-wechselwirkungen in bruckenkopfsubstituierten triptycenen, Chem. Ber., 1983, 116, 2546. [all data]

Haselbach, Neuhaus, et al., 1982
Haselbach, E.; Neuhaus, L.; Johnson, R.P.; Houk, K.N.; Paddon-Row, M.N., .PI.-Orbital interactions in mobius-type molecules as studied by photoelectron spectroscopy, Helv. Chim. Acta, 1982, 65, 1743. [all data]

Theilacker and Hannover, 1966
Theilacker, W.; Hannover, T.H., UV atlas of organic compounds, 1966, 1, D3/2. [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Beernaert, 1979
Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 1979, 173, 1, 109-118, https://doi.org/10.1016/S0021-9673(01)80450-7 . [all data]

Shlyakhov, 1984
Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]


Notes

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