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
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 223. ± 10. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.38 | 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 |
61.44 | 100. | ||
87.80 | 150. | ||
118.55 | 200. | ||
167.75 | 273.15 | ||
184.7 ± 1.0 | 298.15 | ||
185.99 | 300. | ||
249.74 | 400. | ||
302.90 | 500. | ||
345.39 | 600. | ||
379.33 | 700. | ||
406.84 | 800. | ||
429.48 | 900. | ||
448.32 | 1000. | ||
464.17 | 1100. | ||
477.58 | 1200. | ||
489.01 | 1300. | ||
498.80 | 1400. | ||
507.22 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 121. ± 10. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -7061. ± 10. | kJ/mol | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 207.15 | J/mol*K | N/A | Goursot, Girdhar, et al., 1970 | DH |
S°solid,1 bar | 207.15 | J/mol*K | N/A | Goursot, Girdhar, et al., 1968 | DH |
S°solid,1 bar | 207.5 | J/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 14.98 cal/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
211.7 | 298.15 | Radomska and Radomski, 1980 | T = 180 to 430 K. Data given graphically. Cp calculated from equation.; DH |
210.50 | 298.15 | Goursot, Girdhar, et al., 1970 | T = 5 to 500 K.; DH |
210.50 | 298.15 | Goursot, Girdhar, et al., 1968 | T = 5 to 520 K. Only 6 points given; summary article.; DH |
217.5 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
207.1 | 297.2 | Huffman, Parks, et al., 1931 | T = 94 to 297 K. Value is unsmoothed experimental datum.; DH |
221.8 | 298.15 | Hildebrand, Duschak, et al., 1917 | T = 293 to 593 K. From heat content data.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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
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, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 78.5 | kJ/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
ΔvapH° | 79.5 ± 1.2 | kJ/mol | GC | Haftka, Parsons, et al., 2006 | Based on data from 413. to 473. K.; AC |
ΔvapH° | 79.1 | kJ/mol | CGC | Puri, Chickos, et al., 2001 | AC |
ΔvapH° | 79.8 | kJ/mol | CGC | Chickos, Hesse, et al., 1998 | AC |
ΔvapH° | 79.6 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 453. to 503. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 98. ± 10. | kJ/mol | AVG | N/A | Average of 12 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
66.7 | 498. | N/A | Rojas and Orozco, 2003 | See also Hanshaw, Nutt, et al., 2008.; AC |
72.4 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
69.7 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
58.6 | 519. | A | Stephenson and Malanowski, 1987 | Based on data from 504. to 615. K.; AC |
62.1 | 500. | N/A | Kudchadker, Kudchadker, et al., 1979 | See also Hanshaw, Nutt, et al., 2008.; AC |
59.2 | 558. | I | Mortimer and Murphy, 1923 | Based on data from 500. to 616. K.; AC |
60.3 | 515. | I | Mortimer and Murphy, 1923 | Based on data from 500. to 616. K. See also Boublik, Fried, et al., 1984.; AC |
59.6 | 555. | I | NELSON and SENSEMAN, 1922 | Based on data from 496. to 614. K.; AC |
60.7 | 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 (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
496.4 to 613.8 | 4.72997 | 2759.53 | -30.753 | Mortimer and Murphy, 1923 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
97.9 ± 0.6 | 320. to 355. | ME | Oja, Chen, et al., 2009 | AC |
98.4 ± 0.7 | 320. to 350. | ME | Oja, Chen, et al., 2009 | AC |
97.6 ± 1.3 | 369. | ME | Siddiqi, Siddiqui, et al., 2009 | Based on data from 339. to 399. K.; AC |
95.6 ± 1.2 | 337. | N/A | Chen, Oja, et al., 2006 | Based on data from 320. to 354. K.; AC |
91.2 | 338. | GS | Grayson and Fosbraey, 2006 | Based on data from 323. to 353. K.; AC |
98.8 ± 0.4 | 350. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 340. to 360. K.; AC |
102.5 ± 1.9 | 358. | ME | Verevkin, 2004 | Based on data from 348. to 368. K.; AC |
96. ± 6. | 283. to 323. | LE | McEachern and Sandoval, 2001 | AC |
94.5 | 423. to 488. | MEM | Emmenegger and Piccand, 1999 | AC |
102.5 | 338. to 353. | ME | Kloc and Laudise, 1998 | AC |
100.0 ± 2.8 | 341. | ME | Oja and Suuberg, 1998 | Based on data from 318. to 363. K.; AC |
99.7 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
102.6 | 338. | GS | Hansen and Eckert, 1986 | Based on data from 313. to 363. K.; AC |
98.7 | 346. | GS | Rordorf, 1986 | Based on data from 318. to 373. K.; AC |
94.3 | 353. to 399. | GS | Bender, Bieling, et al., 1983 | AC |
91.8 ± 0.9 | 303. | GS | Sonnefeld, Zoller, et al., 1983 | Based on data from 283. to 323. K.; AC |
94.8 | 376. | GS | Macknick and Prausnitz, 1979 | Based on data from 358. to 393. K.; AC |
98.8 ± 0.4 | 363. to 448. | HSA | Dygdala, Stefanski, et al., 1977 | AC |
97.2 | 328. to 372. | ME | Taylor and Crookes, 1976 | AC |
101.0 ± 0.5 | 353. to 432. | ME | Malaspina, 1973 | AC |
99.7 | 393. | C | Malaspina, 1973 | AC |
84.1 | 290. to 358. | ME,C | Wiedemann, 1972 | See also Beech and Lintonbon, 1971.; AC |
98.49 | 342. | V | Kelley and Rice, 1964 | ALS |
98.3 ± 2.1 | 342. to 359. | N/A | Kelley and Rice, 1964, 2 | See also Cox and Pilcher, 1970.; AC |
90. ± 1.3 | 337. | TE | Budurov, 1960 | Based on data from 327. to 346. K.; AC |
103.4 ± 2.9 | 303. to 373. | N/A | Hoyer and Peperle, 1958 | See also Cox and Pilcher, 1970.; AC |
103.3 ± 2.9 | 303. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 102. kJ/mol; ALS |
102.1 ± 2.1 | 338. to 353. | N/A | Bradley and Cleasby, 1953 | See also Cox and Pilcher, 1970.; AC |
102.1 | 346. | N/A | Bradley and Cleasby, 1953, 2 | Based on data from 339. to 353. K.; AC |
102.09 | 338.7 | V | Bradley and Cleasby, 1953, 3 | ALS |
98. ± 2. | 396. to 421. | HSA | Stevens, 1953 | AC |
97. ± 2. | 396. | V | Stevens, 1953, 2 | ALS |
92.0 ± 2.1 | 364. | ME | Inokuchi, Shiba, et al., 1952 | AC |
90.4 | 353. | ME | Inokuchi, 1951 | AC |
97.3 ± 1.2 | 378. to 398. | RG | Sears and Hopke, 1949 | AC |
93.3 ± 4.2 | 353. | N/A | Wolf and Weghofer, 1938 | AC |
93.3 ± 0.8 | 353. | V | Wolf and Weghofer, 1938, 2 | ALS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.372 | 488.93 | N/A | Goursot, Girdhar, et al., 1970 | Note that table of smoothed values indicates Hm = 6485 J/mol and Sm = 251 J/mol*K.; DH |
29.8 | 492. | DSC | Rojas and Orozco, 2003 | Based on data from 463. to 503. K.; AC |
31.5 | 491. | DSC | Storoniak, Krzyminski, et al., 2003 | AC |
28.8 | 489.4 | DSC | Lisicki and Jamróz, 2000 | AC |
29.37 | 488.9 | N/A | Domalski and Hearing, 1996 | AC |
28.830 | 490. | N/A | Ueberreiter and Orthmann, 1950 | DH |
28.870 | 489.7 | N/A | Hildebrand, Duschak, et al., 1917 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
60.07 | 488.93 | Goursot, Girdhar, et al., 1970 | Note; DH |
58.0 | 490. | Ueberreiter and Orthmann, 1950 | DH |
59.0 | 489.7 | Hildebrand, Duschak, et al., 1917 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
29.000 | 490.6 | crystaline, I | liquid | Radomska and Radomski, 1980 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
59.1 | 490.6 | crystaline, I | liquid | Radomska and Radomski, 1980 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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:
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
By formula: C14H11+ + C14H10 = (C14H11+ • C14H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 352. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: C28H20 = 2C14H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -67.0 | kJ/mol | Cm | Bendig, Buchwitz, et al., 1981 | liquid phase; solvent: Cyclohexane; Dimerization, see Bendig and Kreysig, 1981; ALS |
ΔrH° | 28.9 ± 6.1 | kJ/mol | Cm | Donati, Guarini, et al., 1981 | solid phase; ALS |
By formula: C14H10+ + C14H10 = (C14H10+ • C14H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; M |
By formula: C4H2O3 + C14H10 = C18H12O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93. ± 2. | kJ/mol | Cm | Kiselev, Mavrin, et al., 1982 | liquid phase; solvent: Benzene; ALS |
ΔrH° | -93.7 | kJ/mol | Eqk | Lenz, Hegedus, et al., 1982 | liquid phase; solvent: 1,2,4-C6H3Cl3; ALS |
By formula: C14H10 = C14H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -324. ± 1. | kJ/mol | Eqk | Dreeskamp, Kapahnke, et al., 1988 | liquid phase; solvent: Heptane; Isomerization; ALS |
+
= C21H18O3
By formula: C14H10 + C7H8O3 = C21H18O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -87.5 | kJ/mol | Eqk | Lenz, Hegedus, et al., 1982 | liquid phase; solvent: 1,2,4-C6H3Cl3; ALS |
By formula: C20H10N4 = C14H10 + C6N4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.5 ± 2.1 | kJ/mol | Cm | Rogers, 1972 | solid phase; ALS |
Henry's Law 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 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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.439 ± 0.006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 877.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 846.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.530 ± 0.020 | LPES | Ando, Mitsui, et al., 2007 | B |
0.5300 ± 0.0050 | LPES | Scheidt and Weinkauf, 1997 | B |
0.60 ± 0.10 | TDEq | Heinis, Chowdhury, et al., 1993 | ΔGea(343 K) = -13.2 kcal/mol; ΔSea = -1.1 eu.; B |
0.660 ± 0.060 | ECD | Ruoff, Kadish, et al., 1995 | Revised data, work of Becker and Chen, 1966; B |
0.570 ± 0.020 | ECD | Lyons, Morris, et al., 1968 | B |
0.5560 ± 0.0080 | ECD | Becker and Chen, 1966 | B |
<0.481 ± 0.039 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989.; B |
0.41998 | ECD | Wentworth and Becker, 1962 | B |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
869.4 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
842.7 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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
By formula: C14H10+ + C14H10 = (C14H10+ • C14H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1980 | gas phase |
By formula: C14H11+ + C14H10 = (C14H11+ • C14H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26. | 352. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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- 132 |
NIST MS number | 228201 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Ferguson, Reeves, et al., 1957 |
---|---|
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. 1240 |
Instrument | Beckman DU |
Melting point | 215 |
Boiling point | 339.9 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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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Faraday Discuss. Chem. Soc., 1972, 54, 116. [all data]
Rowland, 1971
Rowland, C.G.,
Kinetic energy distributions of C12H8 fragment ions in the mass spectra of anthracene, phenanthrene and diphenylacetylene,
Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 79. [all data]
Kitagawa, 1968
Kitagawa, T.,
Absorption spectra and photoionization of polycyclic aromatics in vacuum ultraviolet region,
J. Mol. Spectry., 1968, 26, 1. [all data]
Angus and Morris, 1966
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Ionization potential of the anthracene molecule from Rydberg absorption bands,
J.Mol. Spectry., 1966, 21, 310. [all data]
Kuroda, 1964
Kuroda, H.,
Ionization potentials of polycyclic aromatic hydrocarbons,
Nature, 1964, 201, 1214. [all data]
Finch, 1964
Finch, A.C.M.,
Charge-transfer spectra and the ionization energy of azulene,
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Briegleb, 1964
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Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]
Kinoshita, 1962
Kinoshita, M.,
The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil,
Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]
Terenin, 1961
Terenin, A.,
Charge transfer in organic solids, induced by light,
Proc. Chem. Soc., London, 1961, 321. [all data]
Briegleb, Czekalla, et al., 1961
Briegleb, G.; Czekalla, J.; Reuss, G.,
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Birks and Stifkin, 1961
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π-Electronic excitation and ionization energies of condensed ring aromatic hydrocarbons,
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Wacks and Dibeler, 1959
Wacks, M.E.; Dibeler, V.H.,
Electron impact studies of aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, and phenanthrene,
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Foster, 1959
Foster, R.,
Ionization potentials of electron donors,
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Briegleb, G.; Czekalla, J.,
Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen,
Z.Elektrochem., 1959, 63, 6. [all data]
Matsen, 1956
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Klasinc, Kovac, et al., 1978
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Schmidt, 1977
Schmidt, W.,
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Clar and Schmidt, 1976
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Jongsma, Vermeer, et al., 1975
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10-methyl-9-phosphaanthracene,
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Hush, Cheung, et al., 1975
Hush, N.S.; Cheung, A.S.; Hilton, P.R.,
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Marschner and Goetz, 1974
Marschner, F.; Goetz, H.,
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Schafer, Schweig, et al., 1972
Schafer, W.; Schweig, A.; Bickelhaupt, F.; Vermeer, H.,
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Ferguson, Reeves, et al., 1957
Ferguson, J.; Reeves, L.W.; Schneider, W.G.,
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Can. J. Chem., 1957, 35, 1117-1123. [all data]
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 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 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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