Acenaphthene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes

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
Δfgas37.48 ± 0.74kcal/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
Δfgas37.4 ± 0.9kcal/molCcbBoyd, Christensen, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.25450.Dorofeeva O.V., 1989GT
13.20100.
18.48150.
24.811200.
35.136273.15
38.76 ± 0.24298.15
39.022300.
52.784400.
64.426500.
73.815600.
81.372700.
87.536800.
92.629900.
96.8861000.
100.471100.
103.511200.
106.101300.
108.321400.
110.231500.

Condensed phase thermochemistry data

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

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid17. ± 0.74kcal/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
Δfsolid16.8 ± 0.6kcal/molCcbBoyd, Christensen, et al., 1965ALS
Quantity Value Units Method Reference Comment
Δcsolid-1487.0 ± 0.6kcal/molCcbBoyd, Christensen, et al., 1965Corresponding Δfsolid = 16.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar45.141cal/mol*KN/AFinke, Messerly, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
45.500298.15Finke, Messerly, et al., 1977T = 10 to 440 K.; DH
44.41298.Sadowska, Stepniewska, et al., 1969T = 20 to 93°C, equation only; liquid, 93 to 200°C, equation only.; DH
50.31298.1Eibert, 1944T = 25 to 200°C, equations only in t°C. Cp(c) = 0.2756 + 0.001854t cal/g*K (25 to 60°C); Cp(liq) = 0.409 + 0.000598t cal/g*K (95 to 200°C).; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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
Tboil552.2KN/AWeast and Grasselli, 1989BS
Tboil552.KN/ABuckingham and Donaghy, 1982BS
Tboil502.65KN/APerkin, 1896Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus367. ± 4.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple366.56KN/AFinke, Messerly, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple366.55KN/AOsborn and Douslin, 1975Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap16.3kcal/molCGCZhao, Unhannanant, et al., 2008AC
Δvap16.8 ± 0.26kcal/molGCHaftka, Parsons, et al., 2006Based on data from 363. to 423. K.; AC
Δvap15.8kcal/molCGCChickos, Hesse, et al., 1998AC
Δvap15.8kcal/molN/ARuuzicka, Mokbel, et al., 1998See also Hanshaw, Nutt, et al., 2008.; AC
Δvap15.9 ± 0.31kcal/molN/AMokbel, Guetachew, et al., 1995See also Hanshaw, Nutt, et al., 2008.; AC
Quantity Value Units Method Reference Comment
Δsub20.3 ± 0.1kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δsub20.2kcal/molCGC-DSCChickos, Hesse, et al., 1998AC
Δsub19.9 ± 0.24kcal/molN/AOsborn and Douslin, 1975, 2See also Finke, Messerly, et al., 1977.; AC
Δsub20.6 ± 0.3kcal/molVBoyd, Christensen, et al., 1965ALS
Δsub20.6kcal/molN/ABoyd, Christensen, et al., 1965DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
15.3398.GCLei, Chankalal, et al., 2002Based on data from 323. to 473. K.; AC
14.6366.N/ARuuzicka, Mokbel, et al., 1998See also Hanshaw, Nutt, et al., 2008.; AC
14.5378.N/AMokbel, Guetachew, et al., 1995See also Hanshaw, Nutt, et al., 2008.; AC
13.403.AStephenson and Malanowski, 1987Based on data from 368. to 552. K.; AC
14.4383.AStephenson and Malanowski, 1987Based on data from 368. to 413. K. See also Osborn and Douslin, 1975, 2 and Boublik, Fried, et al., 1984.; AC
14.7395.ICramer, 1943AC
13.0466.IMortimer and Murphy, 1923Based on data from 413. to 561. K.; AC
13.2435.N/AMortimer and Murphy, 1923Based on data from 420. to 561. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
368. to 413.4.316652062.099-73.146Osborn and Douslin, 1975, 2Coefficents calculated by NIST from author's data.
420.4 to 560.94.925462611.29-20.227Mortimer and Murphy, 1923Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
19.9383.GSNass, Lenoir, et al., 1995Based on data from 313. to 453. K.; AC
18.4318.GSSATO, INOMATA, et al., 1986Based on data from 293. to 342. K.; AC
20.7 ± 0.2303.GSSonnefeld, Zoller, et al., 1983Based on data from 283. to 323. K.; AC
19.7366.BOsborn and Douslin, 1975, 2AC
20.24 ± 0.64283.VRadchenko and Kitaigorodskii, 1974ALS
20.6 ± 0.2290. to 340.MEBoyd, Christensen, et al., 1965See also Cox and Pilcher, 1970.; AC
19.63 ± 0.10368.VAihara, 1959crystal phase; ALS
19.6 ± 0.1300.VAihara, 1959, 2Based on data from 291. to 310. K. See also Stephenson and Malanowski, 1987.; AC
19.5258. to 308.N/AHoyer and Peperle, 1958AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
5.12959366.56N/AFinke, Messerly, et al., 1977DH
5.02367.DSCSharma, Gupta, et al., 2008AC
5.129366.6N/ADomalski and Hearing, 1996AC
4.8358366.4N/ASadowska, Stepniewska, et al., 1969DH
5.9990367.8N/AEibert, 1944DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
13.99366.56Finke, Messerly, et al., 1977DH
13.20366.4Sadowska, Stepniewska, et al., 1969DH
16.3367.8Eibert, 1944DH

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, Condensed 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]

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]

Finke, Messerly, et al., 1977
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937-956. [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, 282-285. [all data]

Eibert, 1944
Eibert, J., Thesis Washington University (St. Louis), 1944. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 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]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Finke, Messerly, et al., 1977, 2
Finke, H.L.; Messerly, J.F.; Lee, S.H.; Osborn, A.G.; Douslin, D.R., Comprehensive thermodynamic studies of seven aromatic hydrocarbons, J. Chem. Thermodyn., 1977, 9, 937. [all data]

Osborn and Douslin, 1975
Osborn, A.G.; Douslin, D.R., Vapor Pressure and Derived Enthalpies of Vaporization for Some Condensed Ring Hydrocarbons, J. Chem. Eng. Data, 1975, 20, 229-31. [all data]

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [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]

Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [all data]

Ruuzicka, Mokbel, et al., 1998
Ruuzicka, Kvetoslav; Mokbel, Ilham; Majer, Vladimir; Ruuzicka, Vlastimil; Jose, Jacques; Zábranský, Milan, Description of vapour--liquid and vapour--solid equilibria for a group of polycondensed compounds of petroleum interest, Fluid Phase Equilibria, 1998, 148, 1-2, 107-137, https://doi.org/10.1016/S0378-3812(98)00200-3 . [all data]

Hanshaw, Nutt, et al., 2008
Hanshaw, William; Nutt, Marjorie; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons, J. Chem. Eng. Data, 2008, 53, 8, 1903-1913, https://doi.org/10.1021/je800300x . [all data]

Mokbel, Guetachew, et al., 1995
Mokbel, I.; Guetachew, T.; Jose, J., Vapor pressures and sublimation pressures of 14 polycyclic aromatic hydrocarbons (C11 - C18) at pressures in the range from 0.5 Pa to 30 kPa, ELDATA: Int. Electron. J. Phys. Chem. Data, 1995, 1, 2, 167. [all data]

Osborn and Douslin, 1975, 2
Osborn, Ann G.; Douslin, Donald R., Vapor pressures and derived enthalpies of vaporization for some condensed-ring hydrocarbons, J. Chem. Eng. Data, 1975, 20, 3, 229-231, https://doi.org/10.1021/je60066a022 . [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [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]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Cramer, 1943
Cramer, K.S.N., Chem. Zentr. II, 1943, 2234. [all data]

Mortimer and Murphy, 1923
Mortimer, F. Spencer.; Murphy, Ray v., The Vapor Pressures of Some Substances Found in Coal Tar., Ind. Eng. Chem., 1923, 15, 11, 1140-1142, https://doi.org/10.1021/ie50167a012 . [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]

SATO, INOMATA, et al., 1986
SATO, NOBUYUKI; INOMATA, HIROSHI; ARAI, KUNIO; SAITO, SHOZABURO, Measurement of vapor pressures for coal-related aromatic compounds by gas saturation method., J. Chem. Eng. Japan / JCEJ, 1986, 19, 2, 145-147, https://doi.org/10.1252/jcej.19.145 . [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]

Radchenko and Kitaigorodskii, 1974
Radchenko, L.G.; Kitaigorodskii, A.I., The vapour pressures and heats of sublimation of naphthalene, biphenyl, octafluoronaphthalene, decafluorobiphenyl, acenaphthene and α-nitronaphthalene, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1595. [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]

Aihara, 1959
Aihara, A., Estimation of the energy of hydrogen bonds formed in crystals. I. Sublimation pressures of some organic molecular crystals and the additivity of lattice energy, Bull. Chem. Soc. Jpn., 1959, 32, 1242. [all data]

Aihara, 1959, 2
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. I. Sublimation Pressures of Some Organic Molecular Crystals and the Additivity of Lattice Energy, Bull. Chem. Soc. Jpn., 1959, 32, 11, 1242-1248, https://doi.org/10.1246/bcsj.32.1242 . [all data]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Sharma, Gupta, et al., 2008
Sharma, B.L.; Gupta, S.; Tandon, S.; Kant, R., Physico-mechanical properties of naphthalene--acenaphthene eutectic system by different modes of solidification, Materials Chemistry and Physics, 2008, 111, 2-3, 423-430, https://doi.org/10.1016/j.matchemphys.2008.04.049 . [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]


Notes

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