Anthracene
- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChIKey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
- 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:
- 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.
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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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 |
---|---|---|---|---|---|
ΔfH°gas | 53. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.890 | 50. | Dorofeeva O.V., 1988 | S(T) values calculated by [ Kudchadker S.A., 1979] are 3.6-4.1 J/mol*K greater than recommended ones. Cp(T) values from two calculations agree within 0.3 J/mol*K. Recommended values are also reproduced in the reference book [ Frenkel M., 1994].; GT |
14.68 | 100. | ||
20.98 | 150. | ||
28.334 | 200. | ||
40.093 | 273.15 | ||
44.15 ± 0.24 | 298.15 | ||
44.453 | 300. | ||
59.689 | 400. | ||
72.395 | 500. | ||
82.550 | 600. | ||
90.662 | 700. | ||
97.237 | 800. | ||
102.65 | 900. | ||
107.15 | 1000. | ||
110.94 | 1100. | ||
114.14 | 1200. | ||
116.88 | 1300. | ||
119.22 | 1400. | ||
121.23 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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 |
---|---|---|---|---|---|
Tboil | 613.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 613.0 | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 613.1 | K | N/A | Burriel, 1931 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 613. | K | N/A | Kirby, 1921 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 490. ± 3. | K | AVG | N/A | Average of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 488.93 | K | N/A | Goursot, Girdhar, et al., 1970 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.8 | kcal/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
ΔvapH° | 19.0 ± 0.29 | kcal/mol | GC | Haftka, Parsons, et al., 2006 | Based on data from 413. to 473. K.; AC |
ΔvapH° | 18.9 | kcal/mol | CGC | Puri, Chickos, et al., 2001 | AC |
ΔvapH° | 19.1 | kcal/mol | CGC | Chickos, Hesse, et al., 1998 | AC |
ΔvapH° | 19.0 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 453. to 503. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 23. ± 3. | kcal/mol | AVG | N/A | Average of 12 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.9 | 498. | N/A | Rojas and Orozco, 2003 | See also Hanshaw, Nutt, et al., 2008.; AC |
17.3 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
16.7 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
14.0 | 519. | A | Stephenson and Malanowski, 1987 | Based on data from 504. to 615. K.; AC |
14.8 | 500. | N/A | Kudchadker, Kudchadker, et al., 1979 | See also Hanshaw, Nutt, et al., 2008.; AC |
14.1 | 558. | I | Mortimer and Murphy, 1923 | Based on data from 500. to 616. K.; AC |
14.4 | 515. | I | Mortimer and Murphy, 1923 | Based on data from 500. to 616. K. See also Boublik, Fried, et al., 1984.; AC |
14.2 | 555. | I | NELSON and SENSEMAN, 1922 | Based on data from 496. to 614. K.; AC |
14.5 | 511. | I | NELSON and SENSEMAN, 1922 | Based on data from 496. to 614. 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
496.4 to 613.8 | 4.72426 | 2759.53 | -30.753 | Mortimer and Murphy, 1923 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.4 ± 0.1 | 320. to 355. | ME | Oja, Chen, et al., 2009 | AC |
23.5 ± 0.2 | 320. to 350. | ME | Oja, Chen, et al., 2009 | AC |
23.3 ± 0.31 | 369. | ME | Siddiqi, Siddiqui, et al., 2009 | Based on data from 339. to 399. K.; AC |
22.8 ± 0.29 | 337. | N/A | Chen, Oja, et al., 2006 | Based on data from 320. to 354. K.; AC |
21.8 | 338. | GS | Grayson and Fosbraey, 2006 | Based on data from 323. to 353. K.; AC |
23.6 ± 0.1 | 350. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 340. to 360. K.; AC |
24.50 ± 0.45 | 358. | ME | Verevkin, 2004 | Based on data from 348. to 368. K.; AC |
23. ± 1. | 283. to 323. | LE | McEachern and Sandoval, 2001 | AC |
22.6 | 423. to 488. | MEM | Emmenegger and Piccand, 1999 | AC |
24.50 | 338. to 353. | ME | Kloc and Laudise, 1998 | AC |
23.90 ± 0.67 | 341. | ME | Oja and Suuberg, 1998 | Based on data from 318. to 363. K.; AC |
23.8 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
24.52 | 338. | GS | Hansen and Eckert, 1986 | Based on data from 313. to 363. K.; AC |
23.6 | 346. | GS | Rordorf, 1986 | Based on data from 318. to 373. K.; AC |
22.5 | 353. to 399. | GS | Bender, Bieling, et al., 1983 | AC |
21.9 ± 0.2 | 303. | GS | Sonnefeld, Zoller, et al., 1983 | Based on data from 283. to 323. K.; AC |
22.7 | 376. | GS | Macknick and Prausnitz, 1979 | Based on data from 358. to 393. K.; AC |
23.6 ± 0.1 | 363. to 448. | HSA | Dygdala, Stefanski, et al., 1977 | AC |
23.2 | 328. to 372. | ME | Taylor and Crookes, 1976 | AC |
24.1 ± 0.1 | 353. to 432. | ME | Malaspina, 1973 | AC |
23.8 | 393. | C | Malaspina, 1973 | AC |
20.1 | 290. to 358. | ME,C | Wiedemann, 1972 | See also Beech and Lintonbon, 1971.; AC |
23.54 | 342. | V | Kelley and Rice, 1964 | ALS |
23.5 ± 0.50 | 342. to 359. | N/A | Kelley and Rice, 1964, 2 | See also Cox and Pilcher, 1970.; AC |
22. ± 0.31 | 337. | TE | Budurov, 1960 | Based on data from 327. to 346. K.; AC |
24.71 ± 0.69 | 303. to 373. | N/A | Hoyer and Peperle, 1958 | See also Cox and Pilcher, 1970.; AC |
24.70 ± 0.70 | 303. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 24.3 kcal/mol; ALS |
24.40 ± 0.50 | 338. to 353. | N/A | Bradley and Cleasby, 1953 | See also Cox and Pilcher, 1970.; AC |
24.40 | 346. | N/A | Bradley and Cleasby, 1953, 2 | Based on data from 339. to 353. K.; AC |
24.400 | 338.7 | V | Bradley and Cleasby, 1953, 3 | ALS |
23.3 ± 0.5 | 396. to 421. | HSA | Stevens, 1953 | AC |
23.3 ± 0.5 | 396. | V | Stevens, 1953, 2 | ALS |
22.0 ± 0.50 | 364. | ME | Inokuchi, Shiba, et al., 1952 | AC |
21.6 | 353. | ME | Inokuchi, 1951 | AC |
23.3 ± 0.29 | 378. to 398. | RG | Sears and Hopke, 1949 | AC |
22.3 ± 1.0 | 353. | N/A | Wolf and Weghofer, 1938 | AC |
22.3 ± 0.2 | 353. | V | Wolf and Weghofer, 1938, 2 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.0201 | 488.93 | N/A | Goursot, Girdhar, et al., 1970, 2 | Note that table of smoothed values indicates Hm = 6485 J/mol and Sm = 251 J/mol*K.; DH |
7.12 | 492. | DSC | Rojas and Orozco, 2003 | Based on data from 463. to 503. K.; AC |
7.53 | 491. | DSC | Storoniak, Krzyminski, et al., 2003 | AC |
6.88 | 489.4 | DSC | Lisicki and Jamróz, 2000 | AC |
7.020 | 488.9 | N/A | Domalski and Hearing, 1996 | AC |
6.8905 | 490. | N/A | Ueberreiter and Orthmann, 1950 | DH |
6.9001 | 489.7 | N/A | Hildebrand, Duschak, et al., 1917 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.36 | 488.93 | Goursot, Girdhar, et al., 1970, 2 | Note; DH |
13.9 | 490. | Ueberreiter and Orthmann, 1950 | DH |
14.1 | 489.7 | Hildebrand, Duschak, et al., 1917 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.9312 | 490.6 | crystaline, I | liquid | Radomska and Radomski, 1980 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
14.1 | 490.6 | crystaline, I | liquid | Radomska and Radomski, 1980 | DH |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
15. | X | N/A | |
35. | 4000. | X | N/A |
17. | L | N/A | |
1.4 | M | N/A | |
56. | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1988
Dorofeeva O.V.,
Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]
Kudchadker S.A., 1979
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Chemical thermodynamic properties of anthracene and phenathrene,
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Physico-Chemical Study of Some Solid Organic Compounds at Ordinary Temperatures, and Their COrrelationo with Temperature,
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Determination of the Melting and Boiling Points of Anthracene, Phenanthrene and Carbazole,
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Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects,
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Measurement of the enthalpies of vaporization and sublimation of solids aromatic hydrocarbons by differential scanning calorimetry,
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Chemical thermodynamic properties of anthracene and phenanthrene,
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The Vapor Pressures of Some Substances Found in Coal Tar.,
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Vapor Pressure Determinations on Naphthalene, Anthracene, Phecanthrene, and Anthraquinone between Their Melting and Boiling Points,
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Oja, Vahur; Chen, Xu; Hajaligol, Mohammad R.; Chan, W. Geoffrey,
Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol,
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Vapor pressure measurements on fluorene and methyl-fluorenes,
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A molecular flow evaporation apparatus for measuring vapour pressures and heats of sublimation of organic compounds,
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Hansen, Philip C.; Eckert, Charles A.,
An improved transpiration method for the measurement of very low vapor pressures,
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The vapour pressures of solids: anthracene, hydroquinone, and resorcinol,
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Malaspina, L.,
Microcalorimetric determination of the enthalpy of sublimation of benzoic acid and anthracene,
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Wiedemann, H.G.,
Applications of thermogravimetry for vapor pressure determination,
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Beech and Lintonbon, 1971
Beech, Graham; Lintonbon, Roger M.,
The measurement of sublimation enthalpies by differential scanning calorimetry,
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Kelley and Rice, 1964
Kelley, J.D.; Rice, F.O.,
The vapor pressures of some polynuclear aromatic hydrocarbons,
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Kelley and Rice, 1964, 2
Kelley, J. Daniel; Rice, Francis Owen,
The Vapor Pressures of Some Polynuclear Aromatic Hydrocarbons 1,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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