Phenanthrene
- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
- CAS Registry Number: 85-01-8
- 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: Phenanthren; Phenanthrin; Phenantrin
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Phase change data
Go To: Top, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 609.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 613.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 605.15 | K | N/A | Kirby, 1921 | Uncertainty assigned by TRC = 5. K; TRC |
Tboil | 601.15 | K | N/A | Kirby, 1921 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 613.15 | K | N/A | Beilstein, 1919 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 372. ± 2. | K | AVG | N/A | Average of 32 out of 35 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 372.38 | K | N/A | Finke, Messerly, et al., 1977 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; C3 - C2 and C2 - C1 are second order transitions; TRC |
Ttriple | 372.38 | K | N/A | Osborn and Douslin, 1975 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 869. ± 1. | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 869.3 | K | N/A | Cheng, 1963 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 78.7 | kJ/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
ΔvapH° | 79.0 ± 1.2 | kJ/mol | GC | Haftka, Parsons, et al., 2006 | Based on data from 413. to 483. K.; AC |
ΔvapH° | 78.7 | kJ/mol | CGC | Chickos, Hesse, et al., 1998 | AC |
ΔvapH° | 78.5 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 403. to 453. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 91. ± 3. | kJ/mol | AVG | N/A | Average of 12 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
485.7 | 0.016 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
87.240 | 350. | N/A | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
72.2 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
71.2 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
58.2 | 406. | A | Stephenson and Malanowski, 1987 | Based on data from 391. to 613. K.; AC |
69.6 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 423. K. See also Osborn and Douslin, 1975, 2.; AC |
71.2 | 372. | N/A | Finke, Messerly, et al., 1977, 2 | AC |
69.7 | 390. | N/A | Finke, Messerly, et al., 1977, 2 | AC |
67.5 | 420. | N/A | Finke, Messerly, et al., 1977, 2 | AC |
57.2 | 548. | I | Mortimer and Murphy, 1923 | Based on data from 476. to 620. K.; AC |
61.2 | 491. | I | Mortimer and Murphy, 1923 | Based on data from 476. to 620. K. See also Boublik, Fried, et al., 1984.; AC |
59.3 | 560. | I | NELSON and SENSEMAN, 1922 | Based on data from 505. to 614. K.; AC |
61.2 | 520. | I | NELSON and SENSEMAN, 1922 | Based on data from 505. to 614. K. See also Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
249.3 | 350. | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
373. to 423. | 4.51922 | 2428.448 | -70.96 | Osborn and Douslin, 1975, 2 | Coefficents calculated by NIST from author's data. |
476.8 to 619.9 | 4.6894 | 2673.32 | -40.7 | Mortimer and Murphy, 1923 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
90.900 | 298.15 | N/A | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
91.6 ± 0.4 | 323. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 313. to 333. K.; AC |
95.0 ± 4.4 | 318. | ME | Oja and Suuberg, 1998 | Based on data from 303. to 333. K.; AC |
88.9 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
87.2 ± 1.1 | 350. | DSC | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | AC |
96.2 | 335. | GS | SATO, INOMATA, et al., 1986 | Based on data from 323. to 348. K.; AC |
82. ± 2. | 340. | TE | Ferro, Imperatori, et al., 1983 | Based on data from 317. to 362. K.; AC |
95.0 ± 0.6 | 303. | GS | Sonnefeld, Zoller, et al., 1983 | Based on data from 283. to 323. K.; AC |
87.2 | 345. | GS | Macknick and Prausnitz, 1979 | Based on data from 325. to 364. K.; AC |
87.2 | 372. | B | Osborn and Douslin, 1975, 2 | AC |
84.1 ± 2.5 | 297. | TE | Budurov, 1960 | Based on data from 279. to 315. K.; AC |
95.9 | 303. | N/A | Hoyer and Peperle, 1958 | Based on data from 273. to 333. K. See also Cox and Pilcher, 1970.; AC |
95.8 ± 2.9 | 213. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 92.9 kJ/mol; ALS |
86.6 | 310. to 323. | N/A | Bradley and Cleasby, 1953 | See also Cox and Pilcher, 1970.; AC |
86.609 | 309.7 | V | Bradley and Cleasby, 1953, 2 | ALS |
90.7 ± 1.2 | 315. | ME | Inokuchi, Shiba, et al., 1952 | AC |
81.6 | 323. | ME | Inokuchi, 1951 | AC |
84.1 | 293. | V | Magnus, Hartmann, et al., 1951 | ALS |
84.1 ± 0.8 | 313. | N/A | Wolf and Weghofer, 1938 | AC |
84.1 ± 0.8 | 323. | V | Wolf and Weghofer, 1938, 2 | ALS |
Entropy of sublimation
ΔsubS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
304.9 | 298.15 | Torres-Gomez, Barreiro-Rodriguez, et al., 1988 | DH |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.720 | 373.81 | N/A | Sabbah and El Watik, 1992 | DH |
18.627 | (373.) | N/A | Rai, Singh, et al., 1987 | DH |
18.000 | 373.2 | N/A | Rastogi and Bassi, 1964 | DH |
16.6 | 367.6 | DSC | Rojas and Orozco, 2003 | Based on data from 353. to 383. K.; AC |
16.2 | 372.9 | DSC | Lisicki and Jamróz, 2000 | AC |
16.46 | 372.4 | N/A | Domalski and Hearing, 1996 | AC |
17.150 | 371.4 | N/A | Eibert, 1944 | DH |
17.138 | 371.7 | N/A | Schmidt, 1941 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.9 | (373.) | Rai, Singh, et al., 1987 | DH |
48.2 | 373.2 | Rastogi and Bassi, 1964 | DH |
46.2 | 371.4 | Eibert, 1944 | DH |
46.1 | 371.7 | Schmidt, 1941 | DH |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
~270. | crystaline, III | crystaline, II | Finke, Messerly, et al., 1977, 2 | Second-order glass-type transition.; DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.000 | 332.2 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
0.218 | 347.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1977, 2 | Lambda transition.; DH |
16.4628 | 372.38 | crystaline, I | liquid | Finke, Messerly, et al., 1977, 2 | DH |
2.600 | 342. | crystaline, II | crystaline, I | Ueberreiter and Orthmann, 1950 | DH |
18.620 | 373. | crystaline, I | liquid | Ueberreiter and Orthmann, 1950 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.0 | 332.2 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
0.63 | 347.5 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1977, 2 | Lambda; DH |
44.21 | 372.38 | crystaline, I | liquid | Finke, Messerly, et al., 1977, 2 | DH |
7.6 | 342. | crystaline, II | crystaline, I | Ueberreiter and Orthmann, 1950 | DH |
49.9 | 373. | crystaline, I | liquid | Ueberreiter and Orthmann, 1950 | DH |
References
Go To: Top, Phase change data, 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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Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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