1-Hexene
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
- IUPAC Standard InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
- CAS Registry Number: 592-41-6
- 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: Hexene-1; 1-n-Hexene; 1-C6H12; Butylethylene; Hexene; Hex-1-ene; UN 2370; Hexylene; Neodene 6 XHP; NSC 74121; Dialene 6
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -10.2 ± 0.6 | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
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: H2 + C6H12 = C6H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -30.0 ± 0.6 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.336 ± 0.037 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | liquid phase; Trifluoroacetolysis; ALS |
| ΔrH° | -3.27 ± 0.23 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.372 ± 0.037 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | liquid phase; Trifluoroacetolysis; ALS |
| ΔrH° | -1.57 ± 0.31 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.86 ± 0.04 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | liquid phase; Trifluoroacetolysis; ALS |
| ΔrH° | -2.75 ± 0.24 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.60 ± 0.04 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | liquid phase; Trifluoroacetolysis; ALS |
| ΔrH° | -3.14 ± 0.31 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
+
By formula: C6H14O = C6H12 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.07 ± 0.08 | kcal/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS |
=
+
By formula: C6H14O = C6H12 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.68 ± 0.08 | kcal/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.20 ± 0.22 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.38 ± 0.29 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.83 ± 0.37 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -6.25 ± 0.27 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.26 ± 0.28 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -8.30 ± 0.21 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.50 ± 0.18 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.58 ± 0.26 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.52 ± 0.28 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.55 ± 0.34 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.80 ± 0.30 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
=
By formula: C6H12 = C6H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -7.18 ± 0.27 | kcal/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc; ALS |
+
=
By formula: C6H12 + H2O = C6H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -8.25 ± 0.08 | kcal/mol | Cm | Wiberg and Wasserman, 1981 | liquid phase; solvent: Water; Hydration; ALS |
C12H16CrO5 (solution) + (solution) = C11H12CrO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
+
=
By formula: C6H12 + C2HF3O2 = C8H13F3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.07 ± 0.03 | kcal/mol | Eqk | Wiberg and Wasserman, 1981 | liquid phase; Trifluoroacetolysis; ALS |
C10H11ClZr (cr) + (l) = C16H23ClZr (cr)
By formula: C10H11ClZr (cr) + C6H12 (l) = C16H23ClZr (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -15.3 ± 0.98 | kcal/mol | RSC | Diogo, Simoni, et al., 1993 | MS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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:
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
View reactions leading to C6H12+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.44 ± 0.04 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 192.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 185.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.46 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
| 9.37 ± 0.02 | PE | Ashmore and Burgess, 1978 | LLK |
| 9.44 | EI | Lossing and Traeger, 1975 | LLK |
| 9.44 | EI | Lossing and Traeger, 1975, 2 | LLK |
| 9.478 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
| 9.31 | PE | Hoshino, Tajima, et al., 1973 | LLK |
| 9.33 | EI | Hoshino, Tajima, et al., 1973 | LLK |
| 9.46 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 9.45 ± 0.02 | PI | Steiner, Giese, et al., 1961 | RDSH |
| 9.65 ± 0.01 | PE | Krause, Taylor, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H9+ | 10.02 | CH3 | EI | Lossing and Traeger, 1975, 2 | LLK |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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 |
|---|---|---|---|---|---|
| Capillary | Methyl Silicone | 30. | 589.0 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
| Capillary | Squalane | 30. | 581.5 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
| Packed | C78, Branched paraffin | 130. | 585.9 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
| Capillary | Squalane | 100. | 584. | Heinzen, Soares, et al., 1999 | |
| Capillary | Squalane | 25. | 582. | Hilal, Carreira, et al., 1994 | |
| Capillary | CP Sil 5 CB | 20. | 588.96 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
| Packed | C78, Branched paraffin | 130. | 587.0 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
| Capillary | BP-1 | 0. | 581. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
| Packed | Apolane | 130. | 588. | Dutoit, 1991 | Column length: 3.7 m |
| Capillary | PoraPLOT Q | 100. | 592. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
| Capillary | PoraPLOT Q | 160. | 590. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
| Capillary | OV-101 | 40. | 588. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 60. | 589. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 80. | 589. | Laub and Purnell, 1988 | |
| Capillary | Squalane | 50. | 583.0 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 50. | 589.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
| Capillary | OV-101 | 70. | 590. | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
| Capillary | Squalane | 50. | 582.5 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 583. | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | OV-1 | 100. | 588.9 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
| Packed | SE-30 | 42. | 598. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
| Capillary | DB-1 | 40. | 589. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
| Capillary | HP-PONA | 40. | 589. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
| Packed | SE-30 | 150. | 590. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
| Capillary | OV-101 | 30. | 588. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 40. | 588. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 50. | 588. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 60. | 589. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 70. | 589. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 80. | 589. | Chien, Furio, et al., 1983 | |
| Capillary | OV-3 | 30. | 594.0 | Chien, Furio, et al., 1983, 2 | |
| Capillary | OV-3 | 40. | 594.1 | Chien, Furio, et al., 1983, 2 | |
| Capillary | OV-3 | 50. | 594.3 | Chien, Furio, et al., 1983, 2 | |
| Capillary | OV-3 | 60. | 594.4 | Chien, Furio, et al., 1983, 2 | |
| Capillary | OV-3 | 70. | 594.6 | Chien, Furio, et al., 1983, 2 | |
| Capillary | OV-3 | 80. | 594.8 | Chien, Furio, et al., 1983, 2 | |
| Capillary | SE-30 | 130. | 593. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 80. | 589. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Packed | Apiezon L | 70. | 587. | Jaworski, 1982 | Column length: 1.8 m |
| Capillary | OV-1 | 30. | 589.1 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | OV-1 | 40. | 589.4 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | OV-1 | 50. | 589.7 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | OV-1 | 60. | 590. | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | OV-1 | 70. | 590.4 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | OV-1 | 80. | 590. | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 30. | 583.5 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 40. | 584.5 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 50. | 585.2 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 60. | 586.2 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 70. | 587.1 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | SE-30 | 80. | 588.2 | Chien, Kopecni, et al., 1981 | H2 |
| Capillary | Squalane | 50. | 582. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 582. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | OV-1 | 40. | 596. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
| Capillary | Squalane | 50. | 582.1 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 582.5 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 582.36 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
| Packed | Squalane | 80. | 583. | Chrétien and Dubois, 1977 | |
| Capillary | Squalane | 50. | 582. | Chretien and Dubois, 1976 | |
| Capillary | Squalane | 100. | 584. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Packed | Apolane | 70. | 584.5 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
| Capillary | Squalane | 50. | 582. | Rijks, van den Berg, et al., 1974 | |
| Capillary | Squalane | 50. | 582. | Rijks, van den Berg, et al., 1974 | |
| Capillary | Squalane | 70. | 583. | Rijks, van den Berg, et al., 1974 | |
| Capillary | Squalane | 70. | 583. | Rijks, van den Berg, et al., 1974 | |
| Capillary | Squalane | 50. | 582. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 583. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 50. | 589. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
| Capillary | OV-101 | 60. | 589. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
| Capillary | Squalane | 27. | 581.38 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 586.9 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 584. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Squalane | 115. | 584. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Squalane | 86. | 583. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Apiezon L | 100. | 589.6 | Eisen, Orav, et al., 1972 | Column length: 45. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 582.3 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 582. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 75. | 589. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
| Packed | Squalane | 100. | 580. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
| Packed | Apiezon L | 100. | 596. | Wagaman and Smith, 1971 | CH4; Column length: 3. m |
| Capillary | Squalane | 115. | 584.0 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
| Capillary | Squalane | 86. | 583.1 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
| Capillary | Squalane | 40. | 583. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
| Packed | Apiezon L | 100. | 588. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
| Packed | Apiezon L | 150. | 596. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
| Packed | Squalane | 27. | 582. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 583. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 584. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 584. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 70. | 593. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
| Packed | Squalane | 26. | 583. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
| Packed | Apiezon L | 130. | 583. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
| Packed | Apiezon L | 70. | 587. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 586. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
| Capillary | OV-101 | 585. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH-100 | 591.2 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
| Capillary | DB-1 | 590. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG 4000 | 50. | 648. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 60. | 649. | Rang, Orav, et al., 1988 | |
| Capillary | Polyethylene Glycol 4000 | 50. | 648.5 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 60. | 648.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 60. | 648.7 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 50. | 648.5 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Packed | Carbowax 20M | 130. | 632. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
| Packed | Carbowax 20M | 70. | 622. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 589. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
| Capillary | DB-5 | 588.2 | 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 | 587.9 | 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 | 587.9 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
| Capillary | DB-5 | 584.2 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | Methyl Silicone | 588.4 | Soják, Addová, et al., 2002 | He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C |
| Capillary | DB-5 | 588.2 | 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 | 587.9 | 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 | 587.9 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
| Capillary | Petrocol DH | 584.67 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 584.79 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 585. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | OV-101 | 585. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Chromosorb 101 | 596. | Voorhees, Hileman, et al., 1975 | 10. K/min; Tstart: 0. C; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 590. | Zaikin and Borisov, 2002 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C |
| Capillary | Methyl Silicone | 584.00 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
| Capillary | Methyl Silicone | 596.84 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 40. | 581.5 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
| Capillary | SE-54 | 50. | 592. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 582. | Schomburg, 1966 | |
| Packed | Methyl Silicone | 50. | 600. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 589. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
| Capillary | Petrocol DH | 589. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | Ultra-ALLOY-5 | 583. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | Ultra-ALLOY-5 | 585. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | Ultra-ALLOY-5 | 585. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | Ultra-ALLOY-5 | 592. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | Ultra-ALLOY-5 | 593. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | PONA | 585. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
| Capillary | Petrocol DH | 585. | Sojak, Kubinec, et al., 2006 | 150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | DB-5MS | 584.7 | Shoenmakers, Oomen, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C |
| Capillary | Methyl Silicone | 585.32 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | OV-101 | 589. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
| Capillary | OV-101 | 587. | Chupalov and Zenkevich, 1996 | N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C |
| Capillary | SE-54 | 584. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
| Capillary | HP-5 | 590. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
| Capillary | HP-5 | 591. | Larsen and Frisvad, 1995, 2 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
| Capillary | DB-1 | 588. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
| Capillary | DB-1 | 585. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
| Capillary | OV-101 | 590. | Sugisawa, Nakamura, et al., 1990 | Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C |
| Capillary | OV-101 | 592. | Sugisawa, Nakamura, et al., 1990 | Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | SP-2100 | 584. | Alencar, Alves, et al., 1983 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 584. | Chen and Feng, 2007 | Program: not specified |
| Capillary | Methyl Silicone | 589. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
| Capillary | Polydimethyl siloxane | 584. | Junkes, Castanho, et al., 2003 | Program: not specified |
| Capillary | PONA | 591. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
| Capillary | Methyl Silicone | 583. | N/A | Program: not specified |
| Capillary | DB-5 MS | 601. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
| Capillary | Methyl Silicone | 588. | Zenkevich and Marinichev, 2001 | Program: not specified |
| Capillary | DB-1 | 589. | Zhu and Wang, 2001 | Program: not specified |
| Capillary | Methyl Silicone | 588. | Zenkevich, 2000 | Program: not specified |
| Capillary | Methyl Silicone | 590. | Spieksma, 1999 | Program: not specified |
| Capillary | SPB-1 | 587. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | DB-1 | 584. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
| Capillary | DB-1 | 584. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
| Capillary | SPB-1 | 587. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 585. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Packed | SE-30 | 592. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
| Packed | Squalane | 582. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
| Packed | SE-30 | 592. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
| Packed | Squalane | 582. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TC-Wax | 674. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 610. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
References
Go To: Top, Gas phase thermochemistry data, 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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Notes
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