Acenaphthylene
- Formula: C12H8
- Molecular weight: 152.1919
- IUPAC Standard InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N
- CAS Registry Number: 208-96-8
- 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. - Other names: Cyclopenta[de]naphthalene; Acenaphthalene
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Condensed phase thermochemistry data
Go To: Top, 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.
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 | 45.60 ± 0.84 | 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 | 46.1 ± 1. | kcal/mol | Ccb | Sadowska, 1966 | ALS |
ΔfH°solid | 44.7 ± 1.1 | kcal/mol | Ccb | Boyd, Christensen, et al., 1965 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1448. ± 1. | kcal/mol | Ccb | Sadowska, 1966 | Corresponding ΔfHºsolid = 46.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -1446.5 ± 1.1 | kcal/mol | Ccb | Boyd, Christensen, et al., 1965 | Corresponding ΔfHºsolid = 44.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.77 | 298. | Sadowska, Stepniewska, et al., 1969 | T = 20 to 89°C, equation only; liquid 90 to 150°C, equation only.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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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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-6148 |
NIST MS number | 228341 |
UV/Visible spectrum
Go To: Top, Condensed phase thermochemistry 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 | Zander, 1969 |
---|---|
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. 6717 |
Instrument | n.i.g. |
Melting point | 92.5 |
Boiling point | 280; 150(28) |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 135. | 1424.62 | Vickers, Kuhn, et al., 2003 | 30. m/0.25 mm/0.25 μm, He |
Capillary | DB-1 | 170. | 1457.55 | Kuhn, 2001 | 30. m/0.53 mm/3. μm, He |
Capillary | OV-1 | 150. | 1495. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1460.0 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-1 | 1408.9 | Farkas, Le Quere, et al., 1994 | 30. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 35. C; Tend: 259. C |
Capillary | Ultra-1 | 1409.0 | Farkas, Le Quere, et al., 1994 | 50. m/0.32 mm/0.52 μm, H2, 2. K/min; Tstart: 35. C; Tend: 259. C |
Capillary | DB-5 | 1456. | 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 | SE-52 | 1426. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 1425.03 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | SE-52 | 1413. | Lee, Vassilaros, et al., 1979 | 12. m/0.28 mm/0.17 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-1 | 1418.54 | Dimitriou-Christidis, Harris, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min) |
Capillary | HP-5 | 1453.37 | Dimitriou-Christidis, Harris, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 60C => 7C/min => 225C => 15C/min => 300C(11.43min) |
Capillary | DB-5 | 1470. | Havenga and Rohwer, 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C 7 0C/min -> 130 0C 5 0C/min -> 200 0C 6 0C/min -> 260 0C 20 0C/min -> 320 0C (4 min) |
Capillary | Methyl Silicone | 1419. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 1428. | Nabivach and Gerasimenko, 1996 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1470. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 35. C @ 1. min, 10. K/min, 220. C @ 15. min |
Capillary | HP-5 MS | 1454. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 | 1450.7 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | C103H208 | 1453. | Dumitrescu, Buda, et al., 2000 | H2, 5. K/min; Phase thickness: 0.25 μm; Tstart: 80. C; Tend: 275. C |
Capillary | C103H208 | 1455. | Dumitrescu, Buda, et al., 2000 | H2, 4. K/min; Phase thickness: 0.25 μm; Tstart: 100. C; Tend: 275. C |
Capillary | Ultra-1 | 1422. | Elizalde-González, Hutfliess, et al., 1996 | 50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C |
Capillary | DB-5 | 1447. | Andersson and Weis, 1994 | 30. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | Ultra-1 | 1403. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | SE-54 | 1438. | Harland, Cumming, et al., 1986 | He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5 MS | 1460. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1466. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Solgel-1 (SGE) | 1433. | SGE Co., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Solgel-1 (SGE) | 1434. | SGE Co., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Solgel-1 (SGE) | 1434. | SGE Co., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5MS | 1483. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | CP-Sil5 CB MS | 1445. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 2193. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 2188. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PE-5 | 247.8 | Jamoussi, Kanzari, et al., 2007 | 20. m/0.18 mm/0.18 μm, 50. C @ 1.5 min, 8. K/min; Tend: 345. C |
Capillary | 5 % Phenyl methyl siloxane | 244.63 | Skrbic and Onjia, 2006 | 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | 5 % Phenyl methyl siloxane | 247.40 | Skrbic and Onjia, 2006 | 80. C @ 2. min, 8. K/min, 300. C @ 10. min |
Capillary | HP-5 | 248.47 | 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 | DB-5MS | 248.88 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5MS | 248.48 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | PTE-5 | 248.29 | Wang, Jia, et al., 2000 | 30. m/0.25 mm/0.25 μm, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min |
Capillary | HP-5 | 247.93 | 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 | DB-5 | 245.4 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 245.4 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 249.0 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | HT-5 | 249.04 | Williams and Williams, 1998 | 40. C @ 8. min, 5. K/min, 400. C @ 20. min; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | SE-52 | 245.83 | Wang, Peng, et al., 1997 | 4. K/min; Column length: 30. m; Column diameter: 0.30 mm; Tstart: 40. C; Tend: 250. C |
Capillary | SE-54 | 245.36 | Chen, 1996 | 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 249.19 | Andersson and Weis, 1994 | 30. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 248.9 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
Capillary | SE-54 | 247.82 | Guillén, Blanco, et al., 1989 | 20. m/0.22 mm/0.20 μm, He, 4. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 244.79 | Sye, Lin, et al., 1988 | 30. m/0.32 mm/0.25 μm, 80. C @ 1. min, 3. K/min; Tend: 290. C |
Capillary | DB-5 | 247.65 | 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 | SE-52 | 244.63 | Boenke and Ballschmiter, 1987 | Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C |
Capillary | DB-5 | 248.75 | 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 | 243.59 | Tong, Centen, et al., 1985 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C |
Capillary | DB-5 | 242.459 | Tong, Shore, et al., 1984 | He, 80. C @ 1. min, 3. K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm |
Capillary | SE-52 | 246.92 | 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 | 244.63 | 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 | DB-5 | 249.2 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 248.27 | 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 | 247.65 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 248.27 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | DB-5MS | 249.2 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | LM-5 | 240.45 | 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 | LM-5 | 240.53 | 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 | Ultra-1 | 244.6 | Sremac, Skrbic, et al., 2005 | 50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C |
Capillary | Ultra-1 | 247.4 | Sremac, Skrbic, et al., 2005 | 50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C |
Capillary | Ultra-1 | 247.7 | Sremac, Skrbic, et al., 2005 | 50. m/0.32 mm/0.50 μm, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C |
Capillary | DB-5 | 247.4 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 240.52 | 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 | 240.53 | 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 | SE-52 | 244.63 | Wang, Peng, et al., 1997 | Column length: 30. m; Column diameter: 0.30 mm; Program: not specified |
Capillary | SE-54 | 244.63 | Chen, 1996 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-54 | 253.15 | Guillen, Iglesias, et al., 1992 | Program: not specified |
Capillary | DB-5 | 249.5 | Paschke, Herbel, et al., 1992 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C |
Capillary | OV-101 | 244.0 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | DB-5 | 244.63 | Tong, Centen, et al., 1985 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Lee's RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 249.77 | Andersson and Weis, 1994 | 30. m/0.2 mm/0.15 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
References
Go To: Top, Condensed phase thermochemistry 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,
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Cieplo tworzenia i uwodornienia acenaftylenu,
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Boyd, Christensen, et al., 1965
Boyd, R.H.; Christensen, R.L.; Pua, R.,
The heats of combustion of acenaphthene, acenaphthylene, and fluoranthene. Strain and delocalization in bridged naphthalenes,
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Sadowska, Stepniewska, et al., 1969
Sadowska, K.W.; Stepniewska, G.B.; Recko, W.M.,
Specific heat and enthalpy of fusion of acenaphthene and acenaphthylene,
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Notiz uber dimeres biacenaphthylenyl-(1.1') (,,Di-perinaphthylenbutadien''),
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A novel, inert, low bleed column for GC-MS, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/gcapps.htm. [all data]
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Kuhn, E.R.,
Selectivity vs. polarity: the fundamentals of chromatographic separation,
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Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions,
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Use of incremental models to estimate the retention indexes of aromatic compounds,
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The standard GC retention index library of flavour compounds
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Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
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Beernaert, H.,
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Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
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Piyachaiseth, Jirapakkul, et al., 2011
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Aroma compounds of flash-fried rice,
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Radulovic, Blagojevic, et al., 2010
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Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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