Chrysene
- Formula: C18H12
- Molecular weight: 228.2879
- IUPAC Standard InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N
- CAS Registry Number: 218-01-9
- 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: Benzo[a]phenanthrene; 1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benz(a)phenanthrene; 1,2,5,6-Dibenzonaphthalene; Rcra waste number U050; Crysene
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry 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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 64.2 ± 1.1 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.72 | 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 |
18.58 | 100. | ||
26.800 | 150. | ||
36.228 | 200. | ||
51.114 | 273.15 | ||
56.23 ± 0.36 | 298.15 | ||
56.604 | 300. | ||
75.746 | 400. | ||
91.711 | 500. | ||
104.48 | 600. | ||
114.67 | 700. | ||
122.93 | 800. | ||
129.70 | 900. | ||
135.33 | 1000. | ||
140.05 | 1100. | ||
144.04 | 1200. | ||
147.43 | 1300. | ||
150.33 | 1400. | ||
152.83 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 721.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 531.4 | K | N/A | Casellato, Vecchi, et al., 1973 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 529.0 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 527.35 | K | N/A | Schuyer, Blom, et al., 1953 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 529.2 | K | N/A | Jones and Neuworth, 1944 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 527.9 | K | N/A | Baxter and Hale, 1936 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 25.38 | kcal/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
ΔvapH° | 23.2 ± 0.33 | kcal/mol | GC | Haftka, Parsons, et al., 2006 | Based on data from 463. to 513. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 29.5 ± 1.0 | 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° | 31.3 ± 1. | kcal/mol | V | Kruif, 1980 | ALS |
ΔsubH° | 31.3 ± 1. | kcal/mol | TE,ME | Kruif, 1980 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.39 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K.; AC |
28.1 ± 1. | 400. | ME | Wakayama and Inokuchi, 1967 | See also Cox and Pilcher, 1970.; AC |
29.02 | 385. | N/A | Hoyer and Peperle, 1958 | Based on data from 353. to 418. K.; AC |
28.4 | 353. | V | Hoyer and Peperle, 1958, 2 | ALS |
28.1 | 293. | V | Magnus, Hartmann, et al., 1951 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.64 | 527. | DSC | Kestens, Auclair, et al., 2010 | AC |
6.250 | 531.4 | DSC | Casellato, Vecchi, et al., 1973, 2 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.50 | 512.2 | Casellato, Vecchi, et al., 1973 | CAL |
11.76 | 531.4 |
Reaction 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 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. 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: C18H12+ + C18H12 = (C18H12+ • C18H12)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 418. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
By formula: C18H13+ + C18H12 = (C18H13+ • C18H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.6 | 418. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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 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) | 7.60 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 201.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 193.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.320 ± 0.010 | LPES | Tschurl and Boesl, 2006 | B |
0.3970 ± 0.0080 | ECD | Becker and Chen, 1966 | B |
0.33 | ECD | Wentworth and Becker, 1962 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
198.1 | 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 |
---|---|---|
192.3 | 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 |
---|---|---|---|
7.60 ± 0.03 | PE | Shahbaz, Akiyama, et al., 1981 | LLK |
8.0 ± 0.2 | EI | Shushan and Boyd, 1980 | LLK |
7.59 ± 0.05 | EQ | Mautner(Meot-Ner), 1980 | LLK |
7.60 ± 0.01 | PE | Boschi, Murrell, et al., 1972 | LLK |
8.0 ± 0.3 | EI | Wacks, 1964 | RDSH |
7.82 | CTS | Kuroda, 1964 | RDSH |
7.83 | CTS | Briegleb, 1964 | RDSH |
7.68 | CTS | Kinoshita, 1962 | RDSH |
7.75 | CTS | Briegleb, Czekalla, et al., 1961 | RDSH |
7.80 | CTS | Birks and Stifkin, 1961 | RDSH |
7.78 | CTS | Briegleb and Czekalla, 1959 | RDSH |
7.72 | CTS | Matsen, 1956 | RDSH |
7.59 ± 0.02 | PE | Schmidt, 1977 | Vertical value; LLK |
7.59 | PE | Clar and Schmidt, 1976 | Vertical value; LLK |
7.61 | PE | Brogli and Heilbronner, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C16H10+ | 16.6 ± 0.3 | C2H2 | EI | Shushan and Boyd, 1980 | LLK |
C18H11+ | 15.1 ± 0.3 | H | EI | Shushan and Boyd, 1980 | LLK |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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, Phase change data, Reaction thermochemistry 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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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 | Chemical Concepts |
NIST MS number | 149624 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 | CP Sil 5 CB | 240. | 2406. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
Capillary | SE-30 | 240. | 2429. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2438. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2439. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2447. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2480. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2486. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2488. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2491. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-52 | 240. | 2461.9 | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 220. | 2408. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 240. | 2456. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Packed | OV-101 | 250. | 2489. | Rudenko, Bulychova, et al., 1984 | N2; Column length: 3. m |
Capillary | OV-101 | 270. | 2490. | 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 | DB-5 | 2472.3 | 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 | 2471.8 | 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 | 2434.2 | 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 | 2472.3 | 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 | 2494.9 | 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 | 2474.4 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Capillary | Ultra-1 | 2442.66 | Richmond and Pombo-Villar, 1997 | 25. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; Tstart: 35. C |
Capillary | OV-1 | 2442.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 2434.2 | 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 | 2472.3 | 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 | 2494.9 | 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 | 2412.3 | 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 | 2471.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | SE-30 | 2463.1 | Pozhidaev, Berezkin, et al., 1988 | He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C |
Capillary | SE-52 | 2432.2 | Pozhidaev, Berezkin, et al., 1988 | He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C |
Capillary | SE-30 | 2465. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Capillary | SE-30 | 2454. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 140. C; Tend: 320. C |
Capillary | SE-52 | 2400. | 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 | 2400. | 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 | 2400. | 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 | 2400. | 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 | 2400. | 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 | 2413. | 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 | 2413. | 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 | 2413. | 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 | 2413. | 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 | 2422. | 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 | 2422. | 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 | 2424. | 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 | 2431. | 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 | 2434. | 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 | 2437. | 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 | 2397. | Cantuti, Cartoni, et al., 1965 | N2, 2.5 K/min; Column length: 50. m; 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 | 2409.82 | 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 | 2471.68 | 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 | 2486. | 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 | OV-101 | 2443. | Yasuhara, Shiraishi, et al., 1997 | 15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | 5 % Phenyl methyl siloxane | 2441. | 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 | 2401. | 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 | HP-5 | 2450. | 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 | 2451. | 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 | 2457. | 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 | 2458. | 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 | 2462. | 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 | 2463. | 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 | 2491. | 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 | 2492. | 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 | 2428. | 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 | 2453. | Quilliam, Lant, et al., 1985 | 30. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C |
Capillary | DB-5 | 2456. | Quilliam, Lant, et al., 1985 | 30. m/0.32 mm/0.1 μm, He, 10. K/min; Tstart: 60. C; Tend: 290. C |
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 |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2465. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
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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 EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas 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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