Triphenylene
- Formula: C18H12
- Molecular weight: 228.2879
- IUPAC Standard InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
- CAS Registry Number: 217-59-4
- 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. - Other names: Benzo[l]phenanthrene; Isochrysene; 1,2,3,4-Dibenznaphthalene; 9,10-Benzophenanthrene; 9,10-Benzphenanthrene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 64.6 ± 1.1 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There 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 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.60 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1989]). These functions are reproduced in the reference book [ Frenkel M., 1994].; GT |
19.04 | 100. | ||
27.357 | 150. | ||
36.711 | 200. | ||
51.458 | 273.15 | ||
56.53 ± 0.48 | 298.15 | ||
56.907 | 300. | ||
75.946 | 400. | ||
91.855 | 500. | ||
104.58 | 600. | ||
114.75 | 700. | ||
122.99 | 800. | ||
129.75 | 900. | ||
135.37 | 1000. | ||
140.08 | 1100. | ||
144.07 | 1200. | ||
147.45 | 1300. | ||
150.35 | 1400. | ||
152.85 | 1500. |
Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 35.9 ± 0.69 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There 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 |
ΔfH°solid | 36.28 ± 0.35 | kcal/mol | Ccb | Douslin, Scott, et al., 1976 | crystal phase; see Good, 1978; ALS |
ΔfH°solid | 33.70 ± 0.11 | kcal/mol | Ccr | Westrum and Wong, 1967 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2139.11 ± 0.29 | kcal/mol | Ccb | Douslin, Scott, et al., 1976 | crystal phase; see Good, 1978; Corresponding ΔfHºsolid = 36.30 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -2136.53 ± 0.11 | kcal/mol | Ccr | Westrum and Wong, 1967 | Corresponding ΔfHºsolid = 33.72 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -2138.01 ± 0.52 | kcal/mol | Ccb | Magnus, Hartmann, et al., 1951 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2138.11 ± 0.52 kcal/mol; Corresponding ΔfHºsolid = 35.20 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 60.870 | cal/mol*K | N/A | Wong and Westrum, 1971 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
61.950 | 298.15 | Wong and Westrum, 1971 | T = 5 to 514 K.; DH |
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 |
---|---|---|---|---|---|
Tboil | 711.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 473.6 | K | N/A | Casellato, Vecchi, et al., 1973 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 474. | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 468. | K | N/A | Blum-Bergmann, 1938 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 471.01 | K | N/A | Wong and Westrum, 1971, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 25.36 ± 0.93 | kcal/mol | CGC | Hanshaw, Nutt, et al., 2008 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 28.70 ± 0.79 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There 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 |
ΔsubH° | 30.2 ± 1. | kcal/mol | V | Kruif, 1980 | ALS |
ΔsubH° | 30.2 ± 1. | kcal/mol | TE,ME | Kruif, 1980 | Based on data from 381. to 406. K.; AC |
ΔsubH° | 25.6 | kcal/mol | V | Wakayama and Inokuchi, 1967 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.2 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
16.2 | 550. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 535. to 768. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.37 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
25.72 | 378. | N/A | Stephenson and Malanowski, 1987 | Based on data from 363. to 468. K.; AC |
25.60 | 425. | ME | Wakayama and Inokuchi, 1967, 2 | AC |
28.2 ± 1. | 368. | N/A | Hoyer and Peperle, 1958 | Based on data from 338. to 398. K. See also Cox and Pilcher, 1970, 2.; AC |
28.2 ± 1.0 | 338. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 27.4 kcal/mol; ALS |
26.3 | 293. | V | Magnus, Hartmann, et al., 1951 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7815 | 471.06 | N/A | Sabbah and El Watik, 1992 | DH |
5.9140 | 471.01 | N/A | Wong and Westrum, 1971 | DH |
5.50 | 471.2 | DSC | Kestens, Auclair, et al., 2010 | AC |
5.913 | 471. | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.55 | 471.01 | Wong and Westrum, 1971 | DH |
Gas phase ion energetics 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 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)
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 C18H12+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.87 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 195.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 189.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.2850 ± 0.0080 | ECD | Becker and Chen, 1966 | B |
0.13998 | ECD | Wentworth and Becker, 1962 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
195.5 | 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) (kcal/mol) | Reference | Comment |
---|---|---|
189.5 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.0 ± 0.2 | EI | Shushan and Boyd, 1980 | LLK |
7.84 ± 0.05 | EQ | Mautner(Meot-Ner), 1980 | LLK |
7.89 ± 0.04 | PE | Boschi, Clar, et al., 1974 | LLK |
7.84 ± 0.01 | PE | Dewar and Goodman, 1972 | LLK |
8.2 ± 0.3 | EI | Wacks, 1964 | RDSH |
8.17 | CTS | Briegleb, 1964 | RDSH |
8.08 | CTS | Kinoshita, 1962 | RDSH |
8.1 | CTS | Briegleb, Czekalla, et al., 1961 | RDSH |
8.09 | CTS | Birks and Stifkin, 1961 | RDSH |
7.95 | CTS | Briegleb and Czekalla, 1959 | RDSH |
8.13 | CTS | Matsen, 1956 | RDSH |
7.88 ± 0.02 | PE | Schmidt, 1977 | Vertical value; LLK |
7.88 | PE | Clar and Schmidt, 1976 | Vertical value; LLK |
7.86 | PE | Brogli and Heilbronner, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C16H10+ | 16.3 ± 0.3 | C2H2 | EI | Shushan and Boyd, 1980 | LLK |
C18H11+ | 15.4 ± 0.3 | H | EI | Shushan and Boyd, 1980 | LLK |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, 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
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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- 122 |
NIST MS number | 228263 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
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Source | missing citation |
---|---|
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. 9066 |
Instrument | Zeiss PMQ II |
Melting point | 199 |
Boiling point | 425 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 2395. | Carugno and Rossi, 1967 | N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 2401. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 2411. | Oda, Yasuhara, et al., 1998 | 25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C |
Lee's RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Methyl Silicone | 200. | 399.40 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 235. | 399.56 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 260. | 399.71 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 300. | 399.57 | Shlyakhov, 1984 |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 400.00 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | HP-5 | 400. | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | HP-5 MS | 400.00 | zu Reckendorf, 2003 | 25. m/0.25 mm/0.33 μm, 5. K/min; Tstart: 70. C; Tend: 320. C |
Capillary | DB-5MS | 399.94 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | HP-5 | 400. | Piao, Chu, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min |
Capillary | HP-5 | 400. | Piao, Chu, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 4. K/min, 280. C @ 20. min |
Capillary | SE-52 | 400.00 | Hasegawa, Muragishi, et al., 1988 | 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 130. C; Tend: 260. C |
Capillary | DB-5 | 400.0 | Wise, Benner, et al., 1988 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | DB-5 | 399.75 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | DB-5 | 399.6 | Quilliam, Lant, et al., 1985 | 30. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C |
Packed | Methyl Silicone | 399.64 | Shlyakhov, 1984 | 2. K/min; Tstart: 100. C; Tend: 275. C |
Capillary | SE-52 | 400.00 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 400.00 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 400. | Wang, Li, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min) |
Capillary | HP-5MS | 400.00 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | LM-5 | 399.84 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
Capillary | HP-5 MS | 400.1 | Brack and Schirmer, 2003 | 30. m/0.25 mm/0.25 μm, Helium; Program: 70 0C 7 0C/min -> 280 0C (2 min) 7 0C/min -> 300 0C (2 min) |
Capillary | LM-5 | 399.98 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Capillary | LM-5 | 400.00 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Capillary | HP Ultra 2 | 400. | zu Reckendorf, 2000 | 25. m/0.20 mm/0.33 μm, Helium; Program: 60 0C (2 min) 4 0C/min -> 230 0C 3 0C/min -> 320 0C (6 min) |
Capillary | HP-5 | 400.00 | Reckendorf, 1997 | 25. m/0.2 mm/0.11 μm, He; Program: 106C(0.2min) => 40C/min => 120C => 3C/min => 310C(10min) |
Capillary | DB-5 | 400. | Zamperlini, Silva, et al., 1997 | 30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) |
Capillary | DB-5 | 401.45 | Zamperlini, Silva, et al., 1997 | 30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) |
Capillary | DB-5 | 400. | Takada, Onda, et al., 1990 | He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C |
Capillary | OV-101 | 400.0 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | SE-52 | 398.78 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 397.36 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 399.63 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 400.00 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 403.65 | Shlyakhov, 1984 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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]
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]
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., 1989
Moiseeva N.F.,
Development of Benson group additivity method for estimation of ideal gas thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1989, 153, 77-85. [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]
Douslin, Scott, et al., 1976
Douslin, D.R.; Scott, D.W.; Good, W.D.; Osborn, A.G.,
Thermodynamic properties of organic compounds and thermodynamic properties of fluids,
Gov. Rep. Announce. Index U.S., 1976, 76, 97. [all data]
Good, 1978
Good, W.D.,
The enthalpies of formation of some bridged-ring polynuclear aromatic hydrocarbons,
J. Chem. Thermodyn., 1978, 10, 553-558. [all data]
Westrum and Wong, 1967
Westrum, E.F., Jr.; Wong, S.,
Strain energies and thermal properties of globular and polynuclear aromatic molecules,
AEC Rept. Coo-1149-92, Contract AT(11-1)-1149, 1967, 1-7. [all data]
Magnus, Hartmann, et al., 1951
Magnus, A.; Hartmann, H.; Becker, F.,
Verbrennungswarmen und resonanzenergien von mehrkernigen aromatischen kohlenwasserstoffen,
Z. Phys. Chem., 1951, 197, 75-91. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Wong and Westrum, 1971
Wong, W-K.; Westrum, E.F., Jr.,
Thermodynamics of polynuclear aromatic molecules. I. Heat capacities and enthalpies of fusion of pyrene, flouranthene, and triphenylene,
J. Chem. Thermodynam., 1971, 3, 105-124. [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]
Casellato, Vecchi, et al., 1973
Casellato, F.; Vecchi, C.; Girell, A.,
Differential calorimetric study of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1973, 6, 4, 361, https://doi.org/10.1016/0040-6031(73)87003-0
. [all data]
Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W.,
Study of Organic Scintillators,
J. Chem. Phys., 1956, 24, 670. [all data]
Blum-Bergmann, 1938
Blum-Bergmann, O.,
J. Am. Chem. Soc., 1938, 60, 1999. [all data]
Wong and Westrum, 1971, 2
Wong, W.-K.; Westrum, E.F.,
Thermodynamics of Polynuclear Aromatic Molecules. 1. Heat Capacities and Enthalpies of Fusion of Pyrene, Fluoranthene, and Triphenylene,
J. Chem. Thermodyn., 1971, 3, 105-24. [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]
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Notes
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- Symbols used in this document:
AE Appearance energy 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) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature 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 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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