Acenaphthylene

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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:
DRB - Donald R. Burgess, Jr.
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
Δfgas263.2 ± 3.7kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Δfgas264.0kJ/molN/ASadowska, 1966Value computed using ΔfHsolid° value of 193.0±4.0 kj/mol from Sadowska, 1966 and ΔsubH° value of 71.0 kj/mol from Boyd, Christensen, et al., 1965.; DRB
Δfgas258. ± 5.9kJ/molCcbBoyd, Christensen, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.3750.Dorofeeva O.V., 1989These statistically calculated values were obtained using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1990]). These functions are reproduced in the reference book [ Frenkel M., 1994].; GT
49.89100.
72.11150.
98.74200.
140.55273.15
154.8 ± 1.0298.15
155.82300.
208.72400.
252.67500.
287.78600.
315.84700.
338.57800.
357.25900.
372.781000.
385.821100.
396.841200.
406.221300.
414.251400.
421.161500.

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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
Tboil553.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil538. to 548.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus365. to 366.KN/ABuckingham and Donaghy, 1982BS
Tfus362.6KN/ASadowska, Stepniewska, et al., 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tfus366.4KN/ABoyd, Christensen, et al., 1965, 2Uncertainty assigned by TRC = 0.3 K; TRC
Tfus365.7KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Δvap64.6 ± 5.8kJ/molCGCRoux, Temprado, et al., 2008, 2AC
Δvap69.1 ± 2.2kJ/molGCHaftka, Parsons, et al., 2006AC
Quantity Value Units Method Reference Comment
Δsub72. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
429. to 433.0.037Buckingham and Donaghy, 1982BS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
77.2383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
73.2 ± 0.5303.GSSonnefeld, Zoller, et al., 1983Based on data from 238. to 323. K.; AC
71.1 ± 1.3286. to 318.ACox and Pilcher, 1970See also Stephenson and Malanowski, 1987 and Boyd, Christensen, et al., 1965.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.96362.Domalski and Hearing, 1996See also Cheda and Westrum, 1994.; AC
6.940362.6Sadowska, Stepniewska, et al., 1969, 2DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
19.14362.6Sadowska, Stepniewska, et al., 1969, 2DH

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:


References

Go To: Top, Gas phase thermochemistry data, Phase change data, Notes

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

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Sadowska, 1966
Sadowska, K.W., Cieplo tworzenia i uwodornienia acenaftylenu, Przem. Chem., 1966, 45, 66-67. [all data]

Boyd, Christensen, et al., 1965
Boyd, R.H.; Christensen, R.L.; Pua, R., The heats of combustion of acenaphthene, acenaphthylene, and fluoranthene. Strain and delocalization in bridged naphthalenes, J. Am. Chem. Soc., 1965, 87, 3554-3559. [all data]

Dorofeeva O.V., 1989
Dorofeeva O.V., Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1986, 102, 59-66. [all data]

Moiseeva N.F., 1990
Moiseeva N.F., Group additivity scheme for calculating the chemical thermodynamic properties of gaseous polycyclic aromatic hydrocarbons containing five-membered rings, Thermochim. Acta, 1990, 168, 179-186. [all data]

Frenkel M., 1994
Frenkel M., Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Sadowska, Stepniewska, et al., 1969
Sadowska, K.W.; Stepniewska, G.B.; Recko, W.M., Specific heat and enthalpy of fusion of acenaphthene and acenaphthylene, Przem. Chem., 1969, 48, 282. [all data]

Boyd, Christensen, et al., 1965, 2
Boyd, R.H.; Christensen, R.L.; Pua, R., The Heats of Combustion of Acenaphthene, Acenaphthylene, and Fluoranthene. Strain and Delocalization in Bridged Naphthalenes, J. Am. Chem. Soc., 1965, 87, 3554. [all data]

Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W., Study of Organic Scintillators, J. Chem. Phys., 1956, 24, 670. [all data]

Roux, Temprado, et al., 2008, 2
Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.; Nagano, Yatsuhisa, Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855, https://doi.org/10.1063/1.2955570 . [all data]

Haftka, Parsons, et al., 2006
Haftka, Joris J.H.; Parsons, John R.; Govers, Harrie A.J., Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography, Journal of Chromatography A, 2006, 1135, 1, 91-100, https://doi.org/10.1016/j.chroma.2006.09.050 . [all data]

Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius, Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure, Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351 . [all data]

Sonnefeld, Zoller, et al., 1983
Sonnefeld, W.J.; Zoller, W.H.; May, W.E., Dynamic coupled-column liquid-chromatographic determination of ambient-temperature vapor pressures of polynuclear aromatic hydrocarbons, Anal. Chem., 1983, 55, 2, 275-280, https://doi.org/10.1021/ac00253a022 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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]

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]

Cheda and Westrum, 1994
Cheda, J.A.R.; Westrum, E.F., Jr., Subambient-temperature thermophysics of acenaphthene and acenaphthylene: molecular disorder in the latter, J. Phys. Chem., 1994, 98, 2482-2488. [all data]

Sadowska, Stepniewska, et al., 1969, 2
Sadowska, K.W.; Stepniewska, G.B.; Recko, W.M., Specific heat and enthalpy of fusion of acenaphthene and acenaphthylene, Przem. Chem., 1969, 48, 282-285. [all data]


Notes

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