Anthracene
- Formula: C14H10
- Molecular weight: 178.2292
- IUPAC Standard InChIKey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
- CAS Registry Number: 120-12-7
- 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: Anthracin; Green Oil; Paranaphthalene; Tetra Olive N2G; Anthracene oil; p-Naphthalene; Anthracen; Coal tar pitch volatiles:anthracene; Sterilite hop defoliant
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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: C14H11+ + C14H10 = (C14H11+ • C14H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.1 | 352. | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; Entropy change calculated or estimated; M |
By formula: C28H20 = 2C14H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.0 | kcal/mol | Cm | Bendig, Buchwitz, et al., 1981 | liquid phase; solvent: Cyclohexane; Dimerization, see Bendig and Kreysig, 1981; ALS |
ΔrH° | 6.9 ± 1.5 | kcal/mol | Cm | Donati, Guarini, et al., 1981 | solid phase; ALS |
By formula: C14H10+ + C14H10 = (C14H10+ • C14H10)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1980 | gas phase; M |
By formula: C4H2O3 + C14H10 = C18H12O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22. ± 0.5 | kcal/mol | Cm | Kiselev, Mavrin, et al., 1982 | liquid phase; solvent: Benzene; ALS |
ΔrH° | -22.4 | kcal/mol | Eqk | Lenz, Hegedus, et al., 1982 | liquid phase; solvent: 1,2,4-C6H3Cl3; ALS |
By formula: C14H10 = C14H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -77.4 ± 0.2 | kcal/mol | Eqk | Dreeskamp, Kapahnke, et al., 1988 | liquid phase; solvent: Heptane; Isomerization; ALS |
+
= C21H18O3
By formula: C14H10 + C7H8O3 = C21H18O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.9 | kcal/mol | Eqk | Lenz, Hegedus, et al., 1982 | liquid phase; solvent: 1,2,4-C6H3Cl3; ALS |
By formula: C20H10N4 = C14H10 + C6N4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.69 ± 0.50 | kcal/mol | Cm | Rogers, 1972 | solid phase; ALS |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 C14H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.439 ± 0.006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 209.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 202.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.530 ± 0.020 | LPES | Ando, Mitsui, et al., 2007 | B |
0.5300 ± 0.0050 | LPES | Scheidt and Weinkauf, 1997 | B |
0.60 ± 0.10 | TDEq | Heinis, Chowdhury, et al., 1993 | ΔGea(343 K) = -13.2 kcal/mol; ΔSea = -1.1 eu.; B |
0.660 ± 0.060 | ECD | Ruoff, Kadish, et al., 1995 | Revised data, work of Becker and Chen, 1966; B |
0.570 ± 0.020 | ECD | Lyons, Morris, et al., 1968 | B |
0.5560 ± 0.0080 | ECD | Becker and Chen, 1966 | B |
<0.481 ± 0.039 | ECD | Wojnarovits and Foldiak, 1981 | EA is an upper limit: Chen and Wentworth, 1989.; B |
0.41998 | ECD | Wentworth and Becker, 1962 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
207.8 | 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) (kcal/mol) | Reference | Comment |
---|---|---|
201.4 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 |
---|---|---|---|---|---|
Packed | SE-30 | 160. | 1804. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Capillary | OV-1 | 150. | 1739. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 160. | 1752. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | SE-30 | 175. | 1769. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 140. | 1729.0 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | CP-Wax | 240. | 2728. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1767.0 | 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 | 1786.4 | 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 | 1800.0 | 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 | 1780.1 | 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 | 1800.1 | 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 | 1770.9 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 1767. | 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 | 1786.4 | 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 | 1800. | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | SP-2100 | 1759.49 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1764.27 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1770.93 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1781.68 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1779.87 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1791.49 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | CP Sil 5 CB | 1782.28 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | DB-5 | 1806. | 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 | OV-1 | 1751.95 | Knoppel, de Bortoli, et al., 1983 | 35. C @ 5. min; Column length: 50. m; Column diameter: 0.2 mm; Tend: 280. C |
Capillary | OV-1 | 1757.74 | Knoppel, de Bortoli, et al., 1983 | 35. C @ 5. min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 280. C |
Capillary | OV-1 | 1758. | Knoppel, de Bortoli, et al., 1982 | 24. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C |
Capillary | OV-1 | 1757.98 | Knoppel, de Bortoli, et al., 1982 | 30. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C |
Capillary | SE-52 | 1752. | 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 | 1740. | 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 | 1749. | 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 | 1749. | 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 | 1749. | 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 | 1749. | 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 | 1750. | 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 | 1762. | 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 | 1762. | 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 | 1762. | 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 | 1762. | 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 | 1764. | 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 | 1765. | 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 | 1766. | 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 | 1770. | 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 | 1773. | 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 | 1778. | 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 | 1754.2 | 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 | 1744.4 | Lee, Vassilaros, et al., 1979 | 12. m/0.28 mm/0.17 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | SE-52 | 1750. | 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 | 1754.97 | 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 | 1793.42 | 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 | OV-101 | 1734. | 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 | 1771. | 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 | 1733. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Capillary | Methyl Silicone | 1759. | Oda, Ichikawa, et al., 1996 | Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C |
Packed | SE-30 | 1734. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 1729. | Nabivach and Gerasimenko, 1996 | |
Packed | Polydimethyl siloxane | 183. | 1759. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1759. | Asif and Fazeelat, 2006 | Nitrogen, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 290. C |
Capillary | HP-101 | 1763. | Mastelic, Jerkovic, et al., 2006 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
Capillary | SPB-5 | 1775. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | C103H208 | 1817. | Dumitrescu, Buda, et al., 2000 | H2, 5. K/min; Phase thickness: 0.25 μm; Tstart: 80. C; Tend: 275. C |
Capillary | C103H208 | 1812. | Dumitrescu, Buda, et al., 2000 | H2, 4. K/min; Phase thickness: 0.25 μm; Tstart: 100. C; Tend: 275. C |
Capillary | HP-5 | 1785. | 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 | 1786. | 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 | 1788. | 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 | 1789. | 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 | 1790. | 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 | 1791. | 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 | 1801. | 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 | 1802. | 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 | 1762. | 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 | PB-1 | 1754. | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 1753. | 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 | 1725. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | SE-30 | 1743. | Ibrahim and Suffet, 1988 | N2, 50. C @ 8. min, 5. K/min, 275. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | SE-30 | 1723. | Pozhidaev, Berezkin, et al., 1987 | He, 6. K/min; Column length: 25. m; Column diameter: 0.21 mm; Tstart: 40. C; Tend: 280. C |
Capillary | SE-54 | 1777. | 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 | 1789. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | Apiezon L | 1791. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | HP-5MS | 1793. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | HP-5 | 1797. | Ansorena, Astiasarán, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | Methyl Silicone | 1766. | 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 | 1742. | Zenkevich, 1996 | Program: not specified |
Capillary | OV-101 | 1724. | Zenkevich and Malamakhov, 1987 | He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified |
Capillary | OV-1 | 1752. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1750. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1758. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1766. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1754. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-FFAP | 2746. | Kurose and Yatagai, 2005 | 60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 2740. | Duman, Kartal, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Supelcowax-10 | 2733. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | HP-Innowax FSC | 2740. | Kivcak, Akay, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Lee's RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Methyl Silicone | 175. | 300.00 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 200. | 300.00 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 235. | 300.00 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 260. | 300.65 | Shlyakhov, 1984 | |
Packed | Methyl Silicone | 300. | 300.00 | Shlyakhov, 1984 |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PE-5 | 301.4 | 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 | 301.3 | 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 | 301.4 | 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 | 301.69 | Skrbic and Onjia, 2006 | 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | 5 % Phenyl methyl siloxane | 301.40 | Skrbic and Onjia, 2006 | 80. C @ 2. min, 8. K/min, 300. C @ 10. min |
Capillary | HP-5 | 301.68 | 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 | 301.38 | 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 | 301.38 | 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 | 301.84 | 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 | 301.59 | 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 | 301.41 | 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 | 301.65 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.65 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.67 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.68 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.68 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.68 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.69 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.69 | Miao and Wu, 1999 | 50. C @ 2. min, 5. K/min; Tend: 310. C |
Capillary | HP-5 | 301.25 | 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 | 301.67 | 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 | 301.7 | 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 | 301.7 | 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 | 301.61 | 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 | 301.48 | 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 | 301.35 | Chen, 1996 | 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5 | 301.24 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
Capillary | PB-1 | 301.61 | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 301.54 | 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 | SE-54 | 301.33 | Ivanov and Golovko, 1994 | He, 3. K/min, 260. C @ 40. min; Column length: 25. m; Tstart: 130. C |
Capillary | SE-52 | 301.76 | 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 | 301.6 | 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 | 301.5 | 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 | 302.00 | 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 | 301.16 | 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 | 301.38 | 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 | 301.69 | Boenke and Ballschmiter, 1987 | Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C |
Capillary | DB-5 | 301.75 | 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 | 301.26 | 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 | SE-52 | 301.08 | 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 | 301.69 | 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 | 301.5 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | DB-5 | 318.5 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | DB-5 | 319.5 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 301.53 | 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 | 301.38 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 301.53 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 301.20 | 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 | 301.4 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | HP-5MS | 303.03 | 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 | 301.37 | 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 | 301.39 | 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 | 301.2 | 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 | 301.4 | 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 | 301.5 | 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 | 301.7 | 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 | 301.4 | Lundstedt, Haglund, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | LM-5 | 301.39 | 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 | 301.39 | 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 | 301.69 | Wang, Peng, et al., 1997 | Column length: 30. m; Column diameter: 0.30 mm; Program: not specified |
Capillary | DB-5 | 301.38 | 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 | 301.7 | 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 | 301.69 | Chen, 1996 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-52 | 301.08 | Shaogang and Xiaobai, 1994 | Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-54 | 301.05 | Guillen, Iglesias, et al., 1992 | Program: not specified |
Capillary | DB-5 | 301.17 | Takada, Onda, et al., 1990 | He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C |
Capillary | DB-5 | 301.69 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 301.73 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 301.92 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-5 | 301.92 | Naikwadi, Charbonneau, et al., 1987 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-101 | 301.4 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
Capillary | DB-5 | 301.69 | Tong, Centen, et al., 1985 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-52 | 301.29 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 301.52 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 301.69 | Shlyakhov, 1984 | Program: not specified |
Capillary | SE-52 | 301.87 | Shlyakhov, 1984 | Program: not specified |
Lee's RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 300.41 | 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, Reaction thermochemistry data, Gas phase ion energetics data, 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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J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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