Anthracene

• Formula: C₁₄H₁₀
• Molecular weight: 178.2292
• IUPAC Standard InChI: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H Copy

  
• IUPAC Standard InChIKey: MWPLVEDNUUSJAV-UHFFFAOYSA-N Copy
• CAS Registry Number: 120-12-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • Anthracene-D10-
• Other names: Anthracin; Green Oil; Paranaphthalene; Tetra Olive N2G; Anthracene oil; p-Naphthalene; Anthracen; Coal tar pitch volatiles:anthracene; Sterilite hop defoliant
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

Constant pressure heat capacity of solid

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₁₄H₁₁⁺ +  = (C₁₄H₁₁⁺ • )

By formula: C₁₄H₁₁⁺ + C₁₄H₁₀ = (C₁₄H₁₁⁺ • C₁₄H₁₀)

Free energy of reaction

= 2

By formula: C₂₈H₂₀ = 2C₁₄H₁₀

C₁₄H₁₀⁺ +  = (C₁₄H₁₀⁺ • )

By formula: C₁₄H₁₀⁺ + C₁₄H₁₀ = (C₁₄H₁₀⁺ • C₁₄H₁₀)

Bond type: Charge transfer bond (positive ion)

 +  =

By formula: C₄H₂O₃ + C₁₄H₁₀ = C₁₈H₁₂O₃

=

By formula: C₁₄H₁₀ = C₁₄H₁₀

 +  = C₂₁H₁₈O₃

By formula: C₁₄H₁₀ + C₇H₈O₃ = C₂₁H₁₈O₃

=  + 

By formula: C₂₀H₁₀N₄ = C₁₄H₁₀ + C₆N₄

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C₁₄H₁₀⁺ (ion structure unspecified)

Electron affinity determinations

Proton affinity at 298K

Gas basicity at 298K

Ionization energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₁₄H₁₀⁺ +  = (C₁₄H₁₀⁺ • )

By formula: C₁₄H₁₀⁺ + C₁₄H₁₀ = (C₁₄H₁₀⁺ • C₁₄H₁₀)

Bond type: Charge transfer bond (positive ion)

C₁₄H₁₁⁺ +  = (C₁₄H₁₁⁺ • )

By formula: C₁₄H₁₁⁺ + C₁₄H₁₀ = (C₁₄H₁₁⁺ • C₁₄H₁₀)

Free energy of reaction

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

• SOLID (1.5 mg / 350 mg KBr DISC) VS. AIR; BECKMAN IR-12 (GRATING); 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Notes

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

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Kudchadker S.A., Chemical thermodynamic properties of anthracene and phenathrene, J. Chem. Thermodyn., 1979, 11, 1051-1059. [all data]

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Radomska and Radomski, 1980
Radomska, M.; Radomski, R., Calorimetric studies of binary systems of 1,3,5-trinitrobenzene with naphthalene, anthracene, and carbazole. I. Phase transitions and heat capacities of the pure components and charge-transfer complexes, Thermochim. Acta, 1980, 40, 405-414. [all data]

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Goursot, Girdhar, et al., 1970, 2
Goursot, P.; Girdhar, H.L.; Westrum, E.F., Thermodynamics of Polynuclear Aromatic Molecules III. Heat Capacities and Enthalpies of Fusion of Anthracene, J. Phys. Chem., 1970, 74, 2538. [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]

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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]

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Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

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Rojas, Aarón; Orozco, Eulogio, Measurement of the enthalpies of vaporization and sublimation of solids aromatic hydrocarbons by differential scanning calorimetry, Thermochimica Acta, 2003, 405, 1, 93-107, https://doi.org/10.1016/S0040-6031(03)00139-4 . [all data]

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Kudchadker, Shanti A.; Kudchadker, Arvind P.; Zwolinski, Bruno J., Chemical thermodynamic properties of anthracene and phenanthrene, The Journal of Chemical Thermodynamics, 1979, 11, 11, 1051-1059, https://doi.org/10.1016/0021-9614(79)90135-6 . [all data]

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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]

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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]

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NELSON, O.A.; SENSEMAN, C.E., Vapor Pressure Determinations on Naphthalene, Anthracene, Phecanthrene, and Anthraquinone between Their Melting and Boiling Points, J. Ind. Eng. Chem., 1922, 14, 1, 58-62, https://doi.org/10.1021/ie50145a028 . [all data]

Oja, Chen, et al., 2009
Oja, Vahur; Chen, Xu; Hajaligol, Mohammad R.; Chan, W. Geoffrey, Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol, J. Chem. Eng. Data, 2009, 54, 3, 730-734, https://doi.org/10.1021/je800395m . [all data]

Siddiqi, Siddiqui, et al., 2009
Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak, Thermal Stability, Sublimation Pressures, and Diffusion Coefficients of Anthracene, Pyrene, and Some Metal β-Diketonates, J. Chem. Eng. Data, 2009, 54, 10, 2795-2802, https://doi.org/10.1021/je9001653 . [all data]

Chen, Oja, et al., 2006
Chen, Xu; Oja, Vahur; Chan, W. Geoffrey; Hajaligol, Mohammad R., Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method, J. Chem. Eng. Data, 2006, 51, 2, 386-391, https://doi.org/10.1021/je050293h . [all data]

Grayson and Fosbraey, 2006
Grayson, B. Terence; Fosbraey, Lynda A., Determination of the vapour pressure of pesticides, Pestic. Sci., 2006, 13, 3, 269-278, https://doi.org/10.1002/ps.2780130308 . [all data]

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Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F., The design, construction, and testing of a new Knudsen effusion apparatus, The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013 . [all data]

Verevkin, 2004
Verevkin, Sergey P., Vapor pressure measurements on fluorene and methyl-fluorenes, Fluid Phase Equilibria, 2004, 225, 145-152, https://doi.org/10.1016/j.fluid.2004.08.037 . [all data]

McEachern and Sandoval, 2001
McEachern, D.M.; Sandoval, O., A molecular flow evaporation apparatus for measuring vapour pressures and heats of sublimation of organic compounds, J. Phys. E: Sci. Instrum., 2001, 6, 2, 155-161, https://doi.org/10.1088/0022-3735/6/2/026 . [all data]

Emmenegger and Piccand, 1999
Emmenegger, F.; Piccand, M., Organometallics, 1999, 57, 1, 235-240, https://doi.org/10.1023/A:1010100531350 . [all data]

Kloc and Laudise, 1998
Kloc, Ch.; Laudise, R.A., Vapor pressures of organic semiconductors:, Journal of Crystal Growth, 1998, 193, 4, 563-571, https://doi.org/10.1016/S0022-0248(98)00467-9 . [all data]

Oja and Suuberg, 1998
Oja, Vahur; Suuberg, Eric M., Vapor Pressures and Enthalpies of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Derivatives, J. Chem. Eng. Data, 1998, 43, 3, 486-492, https://doi.org/10.1021/je970222l . [all data]

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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]

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Hansen, Philip C.; Eckert, Charles A., An improved transpiration method for the measurement of very low vapor pressures, J. Chem. Eng. Data, 1986, 31, 1, 1-3, https://doi.org/10.1021/je00043a001 . [all data]

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Bender, R.; Bieling, V.; Maurer, G., The vapour pressures of solids: anthracene, hydroquinone, and resorcinol, The Journal of Chemical Thermodynamics, 1983, 15, 6, 585-594, https://doi.org/10.1016/0021-9614(83)90058-7 . [all data]

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Macknick, A. Brian; Prausnitz, John M., Vapor pressures of high-molecular-weight hydrocarbons, J. Chem. Eng. Data, 1979, 24, 3, 175-178, https://doi.org/10.1021/je60082a012 . [all data]

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Taylor, John Watson; Crookes, Roy J., Vapour pressure and enthalpy of sublimation of 1,3,5,7-tetranitro-1,3,5,7-tetra-azacyclo-octane (HMX), J. Chem. Soc., Faraday Trans. 1, 1976, 72, 0, 723, https://doi.org/10.1039/f19767200723 . [all data]

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Beech, Graham; Lintonbon, Roger M., The measurement of sublimation enthalpies by differential scanning calorimetry, Thermochimica Acta, 1971, 2, 1, 86-88, https://doi.org/10.1016/0040-6031(71)85027-X . [all data]

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Kelley and Rice, 1964, 2
Kelley, J. Daniel; Rice, Francis Owen, The Vapor Pressures of Some Polynuclear Aromatic Hydrocarbons ¹, J. Phys. Chem., 1964, 68, 12, 3794-3796, https://doi.org/10.1021/j100794a043 . [all data]

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Hoyer and Peperle, 1958, 2
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Bradley and Cleasby, 1953
Bradley, R.S.; Cleasby, T.G., 346. The vapour pressure and lattice energy of hydrogen-bonded crystals. Part I. Oxamide, oxamic acid, and rubeanic acid, J. Chem. Soc., 1953, 1681, https://doi.org/10.1039/jr9530001681 . [all data]

Bradley and Cleasby, 1953, 2
Bradley, R.S.; Cleasby, T.G., 349. The vapour pressure and lattice energy of some aromatic ring compounds, J. Chem. Soc., 1953, 1690, https://doi.org/10.1039/jr9530001690 . [all data]

Bradley and Cleasby, 1953, 3
Bradley, R.S.; Cleasby, T.G., The vapour pressure and lattice energy of some aromatic ring compounds, J. Am. Chem. Soc., 1953, 1690-16. [all data]

Stevens, 1953
Stevens, B., 591. Vapour pressure and the heats of sublimation of anthracene and of 9: 10-diphenylanthracene, J. Chem. Soc., 1953, 2973, https://doi.org/10.1039/jr9530002973 . [all data]

Stevens, 1953, 2
Stevens, B., Vapour pressures and the heats of sublimation of anthracene and of 9:10-diphenylanthracene, J. Chem. Soc., 1953, 76, 2973-29. [all data]

Inokuchi, Shiba, et al., 1952
Inokuchi, Hiroo; Shiba, Sukekuni; Handa, Takashi; Akamatu, Hideo, Heats of Sublimation of Condensed Polynuclear Aromatic Hydrocarbons, Bull. Chem. Soc. Jpn., 1952, 25, 5, 299-302, https://doi.org/10.1246/bcsj.25.299 . [all data]

Inokuchi, 1951
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Sears and Hopke, 1949
Sears, G.W.; Hopke, E.R., Vapor Pressures of Naphthalene, Anthracene and Hexachlorobenzene in a Low Pressure Region, J. Am. Chem. Soc., 1949, 71, 5, 1632-1634, https://doi.org/10.1021/ja01173a026 . [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Storoniak, Krzyminski, et al., 2003
Storoniak, P.; Krzyminski, K.; Bouzyk, A.; Koval'chuk, E.P.; Blazejowski, J., Melting, volatilisation and crystal lattice enthalpies of acridin-9(10H)-ones, Journal of Thermal Analysis and Calorimetry, 2003, 74, 2, 443-450, https://doi.org/10.1023/B:JTAN.0000005179.91819.6d . [all data]

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Notes

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• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  Cp,solid	Constant pressure heat capacity of solid
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  T	Temperature
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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