Pentane, 2,3-dimethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChIKey: WGECXQBGLLYSFP-UHFFFAOYSA-N
- CAS Registry Number: 565-59-3
- 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. - Stereoisomers:
- Other names: 2,3-Dimethylpentane; 3,4-Dimethylpentane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -47.62 ± 0.30 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°gas | -47.49 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -233.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 34.3 kj/mol from Prosen and Rossini, 1945.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -55.81 ± 0.30 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°liquid | -55.7 ± 0.3 | kcal/mol | Ccb | Davies and Gilbert, 1941 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1149.09 ± 0.28 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -55.79 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1149.1 ± 0.3 | kcal/mol | Ccb | Davies and Gilbert, 1941 | Corresponding ΔfHºliquid = -55.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 71.01 | cal/mol*K | N/A | Finke, Messerly, et al., 1976 | DH |
S°liquid | 73.21 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 70 K, 69.5 J/mol*K. Forms glass at low temperatures. Value includes estimated zero point entropy of 17 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.17 | 298.15 | Finke, Messerly, et al., 1976 | T = 10 to 400 K.; DH |
51.60 | 291.5 | Huffman, Parks, et al., 1930 | T = 68 to 292 K. Value is unsmoothed experimental datum.; 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
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 362.9 ± 0.3 | K | AVG | N/A | Average of 35 out of 39 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 149.36 | K | N/A | Anonymous, 1961 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 139.85 | K | N/A | Brooks, Cleaton, et al., 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537.3 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 537.29 | K | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 537. | K | N/A | Francis, 1957 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 537.75 | K | N/A | Edgar and Calingaert, 1929 | Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 28.7 ± 0.5 | atm | N/A | Daubert, 1996 | |
Pc | 28.700 | atm | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4000 atm; TRC |
Pc | 29.2000 | atm | N/A | Edgar and Calingaert, 1929 | Uncertainty assigned by TRC = 0.5000 atm; measured by Keys and Kleinschmidt; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.393 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.54 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.54 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.20 ± 0.02 | kcal/mol | C | Majer, Svoboda, et al., 1979 | AC |
ΔvapH° | 8.17 ± 0.02 | kcal/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 8.181 | kcal/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.89 | 324. | N/A | Montón, de la Torre, et al., 1999 | Based on data from 309. to 371. K.; AC |
8.58 | 271. | A | Stephenson and Malanowski, 1987 | Based on data from 208. to 286. K.; AC |
8.25 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 365. K. See also Kkykj and Repas, 1973.; AC |
7.98 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
7.70 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
7.43 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
8.22 | 306. | N/A | Forziati, Norris, et al., 1949 | Based on data from 291. to 364. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
290.67 to 363.83 | 3.98111 | 1242.609 | -50.806 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00057 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00058 | L | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 | OV-101 | 40. | 668.2 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 670.0 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Packed | C78, Branched paraffin | 130. | 679.4 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | Squalane | 100. | 672. | Heinzen, Soares, et al., 1999 | |
Capillary | OV-101 | 0. | 665. | Skrbic, 1997 | |
Capillary | OV-101 | 0. | 665. | Skrbic, 1997 | |
Packed | Squalane | 78.5 | 674.8 | Zhang and Lu, 1996 | |
Capillary | OV-101 | 150. | 677.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 684.1 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 670. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 671.1 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 671.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 671.1 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 671.2 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 671.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Packed | C78, Branched paraffin | 130. | 679.4 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | BP-1 | 0. | 665. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Capillary | OV-1 | 45. | 669.9 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 672. | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-101 | 40. | 656. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 40. | 669. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 658. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 671. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 661. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 673. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 671.6 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 673.1 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Nonpolar | 55. | 672. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 673. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 65. | 673. | Stoyanov and Dimov, 1987 | |
Capillary | OV-101 | 40. | 668.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 669.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 670.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 671.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 668. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 669. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 670. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 671. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 672. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 673. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 669.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 670.2 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 671.1 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 672.1 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 673.1 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 674.2 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 671.1 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 671.2 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-1 | 50. | 670. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | OV-101 | 50. | 670. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 670. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 671. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 670. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SF-96 | 50. | 669. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 668.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 669.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 671. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 672.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 673.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 675.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 669.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 670. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 670.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 670.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 670.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 670.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 665. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Packed | Triacontane | 70. | 673. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Triacontane | 80. | 673. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 70. | 674. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 674. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | OV-1 | 80. | 670. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Capillary | Squalane | 60. | 672. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 673.4 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 673.2 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 673.2 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Packed | Apolane | 70. | 674.3 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 50. | 672. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 673. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SF-96 | 100. | 674.85 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 110. | 676.1 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 120. | 677.29 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 80. | 672.45 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 90. | 673.81 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Capillary | OV-101 | 50. | 670. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 671. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 669. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 670. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 670. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 671. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 672. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 671.9 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 673. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 673. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | SE-30 | 80. | 672. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 25. | 670. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 672. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 27. | 670. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 672. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 674. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 675. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 669.5 | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 671. | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 670. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 672. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 674. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 673. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 670. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 671. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 672. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 60. | 671. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 673. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 80. | 672. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 26. | 670. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 661. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Apiezon L | 668. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 668.8 | 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 | 671. | 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 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 666.6 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | SPB-1 | 658.84 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | SPB-1 | 659.58 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | DB-5 | 675.8 | 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 | OV-101 | 665.0 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | PONA | 658.5 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | PONA | 661.7 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | Petrocol DH | 662.36 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 662.41 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 667. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 663. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | HP-1 | 669.8 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 670.1 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 669.3 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Capillary | Ultra-1 | 664.78 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 666.38 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 667.28 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 665.13 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 666.68 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 667.50 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 661. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 661.05 | 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 | OV-101 | 665. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 669. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 672. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 670. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 671. | Wu and Lu, 1984, 2 | |
Capillary | Squalane | 100. | 676. | Dimov N., 1976 | |
Capillary | Squalane | 70. | 673. | Dimov N., 1976 | |
Capillary | Squalane | 86. | 663. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Capillary | Apiezon L | 40. to 190. | 672. | Mann, Mühlstädt, et al., 1967 | Column length: 2. m |
Packed | Methyl Silicone | 50. | 671. | 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 | 669. | 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 | 665. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 667. | 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 | BP-1 | 668. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SE-54 | 665. | 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 | SF-96 | 671. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 675. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 672. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 671. | 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 | OV-101 | 672. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 672. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 665. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 672. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | Methyl Silicone | 668. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 672. | Zenkevich, 1999 | Program: not specified |
Capillary | OV-1 | 670. | Zhu and He, 1999 | Program: not specified |
Capillary | OV-1 | 671. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 670. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 671. | Zhu and He, 1999 | Program: not specified |
Capillary | OV-101 | 665. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | SE-52 | 667. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | Squalane | 667. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 670. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 673. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 680. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 673. | 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 | 680. | 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 | Supelcowax-10 | 668. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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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Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
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Unified equation between Kováts indices on different stationary phases for select types of compounds,
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Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase,
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Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L.,
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Stoyanov and Dimov, 1987
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Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions,
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Boneva and Dimov, 1986
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Unified retention index of hydrocarbons separated on dimethylsilicone OV-101,
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Chien, Furio, et al., 1983
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Specific retention volumes and retention indices of selected hydrocarbon solutes with OV-3, OV-7, OV-11, OV-17, OV-22, and OV-25 polymethylphenylsiloxane solvents,
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Lubeck and Sutton, 1983
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Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Anders, Scheller, et al., 1982
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Zur Vorausberechnung von Bruttoretentioszeiten bei temperaturprogramierter Gaschromatographie mit Hilfe isotherm bestimmter Retentionsindices und einer Anpassung an experimentelle Retentionszeiten,
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Johansen and Ettre, 1982
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Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
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Chien, Kopecni, et al., 1981
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Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A.,
On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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Castello and D'Amato, 1979
Castello, G.; D'Amato, G.,
Use of Linear and Branched-Chain Paraffinic Liquid Phases as Non-Polar Reference Materials in Gas Chromatography,
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Dimov and Papazova, 1979
Dimov, N.; Papazova, D.,
Calculation of retention indices of isoparaffins on different phases,
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Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
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Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
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Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
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Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
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Castello, Berg, et al., 1973
Castello, G.; Berg, M.; Lunardelli, M.,
Temperature dependence of the retention indices of branched-chain paraffins on non-polar stationary phases. A method for its calculation on the basis of molecular structure,
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Pacáková, Hoch, et al., 1973
Pacáková, V.; Hoch, K.; Smolková, E.,
The Effect of Instrumentation on the Precision of Retention Indexes,
Chromatographia, 1973, 6, 7, 320-324, https://doi.org/10.1007/BF02269334
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Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P.,
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Dimov and Schopov, 1971
Dimov, N.; Schopov, D.,
Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
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Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
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Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
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Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
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Tourres, 1967
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Structural analysis of industrial butene dimers by gas chromatography,
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Tourres, 1967, 2
Tourres, D.A.,
Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères,
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Evans, 1966
Evans, M.B.,
Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400,
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Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G.,
Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs,
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Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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. [all data]
Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
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Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
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Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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