Fluoranthene
- Formula: C16H10
- Molecular weight: 202.2506
- IUPAC Standard InChIKey: GVEPBJHOBDJJJI-UHFFFAOYSA-N
- CAS Registry Number: 206-44-0
- 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. - Species with the same structure:
- Other names: Benzene, 1,2-(1,8-naphthalenediyl)-; Benzo[jk]fluorene; Idryl; 1,2-(1,8-Naphthylene)benzene; Benzene, 1,2-(1,8-naphthylene)-; 1,2-Benzacenaphthene; 1,2-(1,8-Naphthalenediyl)benzene; Rcra waste number U120; 1,2-(1,8-Naphthalene)benzene; Fluoranthrene; NSC 6803
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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), 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 291.4 ± 4.0 | kJ/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°gas | 289.8 | kJ/mol | N/A | Westrum and Wong, 1967 | Value computed using ΔfHsolid° value of 189.8±0.4 kj/mol from Westrum and Wong, 1967 and ΔsubH° value of 100.0 kj/mol from Boyd, Christensen, et al., 1965.; DRB |
ΔfH°gas | 292.0 ± 2.2 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = 295. ± 7.5 kJ/mol; ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
42.00 | 50. | Dorofeeva O.V., 1989 | These values are based on the experimental assignment of vibrational spectra. The S(300 K) and Cp(300 K) values calculated by MM3 method [ Pope C.J., 1995] are 10 and 4 J/mol*K, respectively, larger than selected ones. Recommended values are also reproduced in the reference book [ Frenkel M., 1994].; GT |
65.72 | 100. | ||
95.81 | 150. | ||
130.42 | 200. | ||
184.90 | 273.15 | ||
203.6 ± 2.0 | 298.15 | ||
204.95 | 300. | ||
274.78 | 400. | ||
332.96 | 500. | ||
379.38 | 600. | ||
416.36 | 700. | ||
446.20 | 800. | ||
470.63 | 900. | ||
490.88 | 1000. | ||
507.82 | 1100. | ||
522.12 | 1200. | ||
534.26 | 1300. | ||
544.63 | 1400. | ||
553.54 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 | 190.2 ± 2.8 | kJ/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 | 189.8 ± 0.4 | kJ/mol | Ccr | Westrum and Wong, 1967 | ALS |
ΔfH°solid | 192. ± 5.4 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -7915.2 ± 0.4 | kJ/mol | Ccr | Westrum and Wong, 1967 | Corresponding ΔfHºsolid = 189.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -7917.8 ± 5.4 | kJ/mol | Ccb | Boyd, Christensen, et al., 1965 | Corresponding ΔfHºsolid = 192. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 230.58 | J/mol*K | N/A | Wong and Westrum, 1971 | DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
230.25 | 298.15 | Wong and Westrum, 1971 | T = 5 to 427 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:
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 |
---|---|---|---|---|---|
Tfus | 381.0 | K | N/A | Casellato, Vecchi, et al., 1973 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 386.1 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 385.2 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 385.4 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 383.45 | K | N/A | Schuyer, Blom, et al., 1953 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 383.340 | K | N/A | Wong and Westrum, 1971, 2 | Uncertainty assigned by TRC = 0.005 K; TRC |
Ttriple | 383.330 | K | N/A | Wong and Westrum, 1971, 2 | Uncertainty assigned by TRC = 0.005 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 86.8 ± 1.3 | kJ/mol | GC | Ribeiro da Silva, Gomes, et al., 2005 | Based on data from 423. to 493. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 101.2 ± 2.8 | kJ/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° | 99.2 ± 0.8 | kJ/mol | V | Morawetz, 1972 | ALS |
ΔsubH° | 99.2 ± 0.8 | kJ/mol | C | Morawetz, 1972, 2 | See also Pedley and Rylance, 1977.; AC |
ΔsubH° | 102. ± 2. | kJ/mol | V | Boyd, Christensen, et al., 1965 | ALS |
ΔsubH° | 100.0 | kJ/mol | N/A | Boyd, Christensen, et al., 1965 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
79.3 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
77.4 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
62.2 | 518. | A | Stephenson and Malanowski, 1987 | Based on data from 503. to 658. K. See also Tsypikina and Ya, 1955.; 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 |
---|---|---|---|---|---|
470. to 657.4 | 2.51213 | 1017.476 | -253.875 | Tsypkina, 1955 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
98.3 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
84.6 ± 0.9 | 303. | GS | Sonnefeld, Zoller, et al., 1983 | Based on data from 283. to 323. K.; AC |
102. ± 2. | 340. | ME | Boyd, Christensen, et al., 1965 | Based on data from 328. to 353. K. See also Cox and Pilcher, 1970, 2.; AC |
102.6 | 328. | N/A | Hoyer and Peperle, 1958 | Based on data from 298. to 358. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.728 | 383.36 | Wong and Westrum, 1971 | DH |
18.74 | 383.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.85 | 383.36 | Wong and Westrum, 1971 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 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
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 C16H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.9 ± 0.1 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 828.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 800.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.629995 | ECD | Michl, 1969 | B |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
826.8 | 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 |
---|---|---|
799.6 | 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 |
---|---|---|---|
7.9 ± 0.1 | TRPI | Ling and Lifshitz, 1995 | LL |
7.95 ± 0.04 | PE | Boschi, Clar, et al., 1974 | LLK |
7.80 ± 0.01 | PI | Dewar, Haselbach, et al., 1970 | RDSH |
7.72 | CTS | Slifkin and Allison, 1967 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C16H8+ | 11.50 ± 0.12 | 2H | DER | Ling and Lifshitz, 1995 | LL |
C16H8+ | 11.24 ± 0.25 | H2 | DER | Ling and Lifshitz, 1995 | LL |
C16H9+ | 12.38 ± 0.14 | H | DER | Ling and Lifshitz, 1995 | LL |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: 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, 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- 126 |
NIST MS number | 228362 |
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), 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 | SPB-5 | 180. | 2057. | Corbella, Rodríguez, et al., 1995 | 15. m/0.32 mm/0.25 μm, He |
Packed | OV-101 | 250. | 2091. | Rudenko, Bulychova, et al., 1984 | N2; Column length: 3. m |
Packed | OV-101 | 230. | 2091. | Grimmer and Böhnke, 1975 | Gas Chrom Q; Column length: 10. m |
Packed | SE-30 | 200. | 2051. | Shlyakhov, Anvaer, et al., 1975 | |
Capillary | OV-101 | 230. | 2091. | Grimmer and Böhnke, 1972 | N2; Column length: 50. m; Column diameter: 0.50 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 2053.5 | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
Capillary | DB-5 | 2060.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2060.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 2032.6 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2060.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2076.5 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | OV-1 | 2038.9 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Capillary | OV-1 | 2062.3 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Capillary | HP-5MS | 2085. | Nahir, 1999 | 30. m/0.25 mm/0.25 μm, 10. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 2032.6 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2060.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2076.5 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2060.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 2060.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 2084. | 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 | 2011. | 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 | 2009. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2009. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2009. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2009. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2009. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2023. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2023. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2023. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2023. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2030. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2030. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2031. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2037. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2042. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2044. | Beernaert, 1979 | He, 50. C @ 5. min, 6. K/min; Column length: 16.6 m; Column diameter: 0.50 mm; Tend: 320. C |
Capillary | SE-52 | 2020. | 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 | HP-1 | 2020.45 | 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 | 2068.42 | 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 | 2084. | 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 | 5 % Phenyl methyl siloxane | 2037. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | Methyl Silicone | 2015. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | C103H208 | 2098. | Dumitrescu, Buda, et al., 2000 | H2, 5. K/min; Phase thickness: 0.25 μm; Tstart: 80. C; Tend: 275. C |
Capillary | C103H208 | 2089. | Dumitrescu, Buda, et al., 2000 | H2, 4. K/min; Phase thickness: 0.25 μm; Tstart: 100. C; Tend: 275. C |
Capillary | HP-5 | 2052. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2053. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2057. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2058. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2060. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2061. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2079. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 2080. | Miao and Wu, 1999 | 30. m/0.32 mm/0.25 μm, 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | Ultra-1 | 2031. | 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 | SE-54 | 2045. | 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 | HP-5MS | 2062. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | Methyl Silicone | 2028. | 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 |
Capillary | Methyl Silicone | 2006. | Zenkevich, 1996 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 2084. | Geldon, 1989 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 2085. | Geldon, 1989 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2030. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | OV-101 | 2091. | Kaliszan and Lamparczyk, 1978 | Program: not specified |
Lee's RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Methyl Silicone | 175. | 341.94 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 200. | 340.99 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 200. | 343.44 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 235. | 343.15 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 240. | 342.27 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 260. | 343.16 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 300. | 344.01 | Shlyakhov, 1984 |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PE-5 | 344.3 | 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 | HP-5 | 337.0 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 337. | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | 5 % Phenyl methyl siloxane | 344.01 | Skrbic and Onjia, 2006 | 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | 5 % Phenyl methyl siloxane | 340.90 | Skrbic and Onjia, 2006 | 80. C @ 2. min, 8. K/min, 300. C @ 10. min |
Capillary | HP-5 | 344.85 | 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 | 344.49 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5MS | 344.78 | 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 | 344.83 | 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 | 344.99 | 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 | 344.49 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.51 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.56 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.60 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.64 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.67 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.74 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.75 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 344.54 | 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 | 344.68 | 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 | 344.8 | 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 | 344.8 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | SE-54 | 344.67 | Chen, 1996 | 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Capillary | SE-52 | 344.85 | Shaogang and Xiaobai, 1994 | 40. C @ 2. min, 4. K/min, 300. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | DB-5 | 344.8 | 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 | SPB-5 | 345.0 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | SE-54 | 344.55 | Guillén, Blanco, et al., 1989 | 20. m/0.22 mm/0.20 μm, He, 4. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | SE-52 | 344.62 | 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 | 344.35 | 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 | 344.49 | 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 | 344.68 | 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 | 344.43 | Tong, Centen, et al., 1985 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 90. C; Tend: 325. C |
Packed | Methyl Silicone | 340.66 | Shlyakhov, 1984 | 2. K/min; Tstart: 100. C; Tend: 275. C |
Capillary | DB-5 | 344.560 | 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 | DB-5 | 344.7 | Viau, Studak, et al., 1984 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 90. C; Tend: 250. C |
Capillary | SE-52 | 344.51 | 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 | 344.01 | 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 | 344.6 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 344.96 | 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 | 344.49 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 344.96 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 340.10 | Skrbic and Onjia, 2006 | Program: 70 0C (2 min) 30 0C/min -> 150 0C 5 0C/min -> 200 0C 4 0C/min -> 310 0C (5 min) |
Capillary | DB-5MS | 338.2 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | HP-5MS | 389.98 | Cheng, Liu, et al., 2005 | 30. m/0.30 mm/0.25 μm, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C |
Capillary | LM-5 | 340.21 | 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 | 340.44 | 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 | 338.5 | 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 | 344.0 | 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 | 344.9 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 340.35 | 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 | 340.44 | 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-5 | 342.65 | 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 | 343.25 | 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 | 343.31 | 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 | SE-54 | 344.01 | Chen, 1996 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-52 | 344.51 | Shaogang and Xiaobai, 1994 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-54 | 343.24 | Guillen, Iglesias, et al., 1992 | Program: not specified |
Capillary | SE-54 | 344.6 | Peterman and Delfino, 1990 | 15. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min) |
Capillary | DB-5 | 340.11 | Takada, Onda, et al., 1990 | He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C |
Capillary | DB-5 | 344.01 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 345.32 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-101 | 344.6 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | SE-52 | 340.05 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 340.88 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 341.74 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 342.74 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 343.25 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 343.65 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 344.01 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 345.00 | 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), Gas Chromatography, 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
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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) 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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