Pentane, 2,4-dimethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChIKey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
- CAS Registry Number: 108-08-7
- 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. - Other names: 2,4-Dimethylpentane
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -202.1 ± 0.96 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°gas | -205.1 | kJ/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -238.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 32.9 kj/mol from Prosen and Rossini, 1945.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 396.73 | J/mol*K | N/A | Huffman H.M., 1961 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
115.44 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT |
157.57 | 273.15 | ||
170.8 ± 0.4 | 298.15 | ||
171.71 | 300. | ||
220.08 | 400. | ||
261.37 | 500. | ||
296.23 | 600. | ||
326.35 | 700. | ||
352.29 | 800. | ||
374.47 | 900. | ||
394.13 | 1000. | ||
411.29 | 1100. | ||
426.35 | 1200. | ||
439.32 | 1300. | ||
451.87 | 1400. | ||
464.42 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 353.7 ± 0.3 | K | AVG | N/A | Average of 42 out of 48 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 153. ± 3. | K | AVG | N/A | Average of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 154. ± 1. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 519.8 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 519.73 | K | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 521.7 | K | N/A | Francis, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 520.25 | 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 | 27.4 ± 0.5 | bar | N/A | Daubert, 1996 | |
Pc | 27.367 | bar | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4053 bar; TRC |
Pc | 27.763 | bar | N/A | Edgar and Calingaert, 1929 | Uncertainty assigned by TRC = 0.5066 bar; measured by Keys and Kleinschmidt; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.418 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.40 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.40 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 33.02 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 32.7 ± 0.1 | kJ/mol | C | Svoboda, 1998 | AC |
ΔvapH° | 32.9 ± 0.1 | kJ/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 32.88 | kJ/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.55 | 353.7 | N/A | Majer and Svoboda, 1985 | |
32.3 ± 0.1 | 308. | C | Svoboda, 1998 | AC |
31.9 ± 0.1 | 315. | C | Svoboda, 1998 | AC |
31.5 ± 0.1 | 323. | C | Svoboda, 1998 | AC |
31.0 ± 0.1 | 330. | C | Svoboda, 1998 | AC |
30.6 ± 0.1 | 338. | C | Svoboda, 1998 | AC |
30.0 ± 0.1 | 348. | C | Svoboda, 1998 | AC |
33.3 | 299. | A | Stephenson and Malanowski, 1987 | Based on data from 284. to 355. K. See also Kkykj and Repas, 1973.; AC |
33.2 | 302. | N/A | Forziati, Norris, et al., 1949 | Based on data from 287. to 354. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
286.86 to 354.52 | 3.9612 | 1197.608 | -50.877 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.845 | 153.97 | Huffman, Gross, et al., 1961 | DH |
6.85 | 154. | Domalski and Hearing, 1996 | AC |
6.694 | 152.5 | Huffman, Parks, et al., 1930 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.46 | 153.97 | Huffman, Gross, et al., 1961 | DH |
43.90 | 152.5 | Huffman, Parks, et al., 1930 | DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 1043 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | C78, Branched paraffin | 130. | 628.9 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | Squalane | 100. | 630. | Heinzen, Soares, et al., 1999 | |
Capillary | OV-101 | 0. | 628. | Skrbic, 1997 | |
Capillary | OV-101 | 0. | 628. | Skrbic, 1997 | |
Packed | Squalane | 78.5 | 632.0 | Zhang and Lu, 1996 | |
Capillary | CP Sil 2 | 60. | 626.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 150. | 630.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 634.9 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | DB-1 | 60. | 631.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 630.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 631.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 630.9 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 630.7 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Packed | C78, Branched paraffin | 130. | 629.3 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | BP-1 | 0. | 628. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Packed | Apolane | 130. | 630. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | Methyl Silicone | 40. | 630. | Takeda, 1991 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | Methyl Silicone | 80. | 631. | Takeda, 1991 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-1 | 45. | 630.4 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 630.5 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 631.3 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 629.8 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 630.5 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 45. | 629.3 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 65. | 629.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-101 | 40. | 631. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 632. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 633. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 630. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 630.2 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 40. | 629.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 630.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 630.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 631.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 631. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 631. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 632. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 632. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 632. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 633. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 628.7 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 629.0 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 629.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 629.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 630.0 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 630.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 631. | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 630.9 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-1 | 50. | 630. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | OV-101 | 50. | 630. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 630. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 632. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 632. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SF-96 | 50. | 630. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 630.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 631.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 631.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 632.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 633.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 634.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 633.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 633.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 632.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 631.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 630.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 629.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 627. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Packed | Squalane | 100. | 631. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Packed | Triacontane | 70. | 629. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Triacontane | 80. | 629. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 70. | 632. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 631. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | OV-1 | 80. | 632. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Packed | SE-30 | 80. | 632. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Capillary | Squalane | 60. | 630. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 631. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 631. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Packed | Apolane | 70. | 626.9 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 50. | 630. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 630. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SF-96 | 100. | 633.19 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 110. | 633.65 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 120. | 633.57 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 80. | 632.42 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 90. | 632.98 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Capillary | OV-101 | 50. | 631. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 631. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 626. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 627. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 627. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 628. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 628. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 629.8 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 80. | 628. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 25. | 630. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 630. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 40. | 631. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 629. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 630. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 630. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 631. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 629. | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 630. | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 629. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 630. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 630. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 631. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 22. | 629. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 629. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 632. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 631. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 60. | 630. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 630. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 80. | 630. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | DC-200 | 100. | 633. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 631. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 627. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Squalane | 26. | 630. | 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 | 623. | 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 | 621. | 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 | 630.6 | 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 | 633. | 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 |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 609. | Rohrschneider, 1966 | Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 627.1 | 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 | 620.63 | 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 | 621.45 | 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 | 621.2 | 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 | OV-101 | 625.8 | 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 | 620.3 | 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 | 623.1 | 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 | 623.73 | 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 | 623.75 | 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 | 630. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 624. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Methyl Silicone | 624. | Takeda, 1991 | 20. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.20 mm; Tend: 250. C |
Capillary | OV-101 | 623. | 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 | OV-101 | 626. | 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. | 630. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 630. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 630. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 631. | Wu and Lu, 1984, 2 | |
Capillary | Squalane | 100. | 632. | Dimov N., 1976 | |
Capillary | Squalane | 70. | 630. | Dimov N., 1976 | |
Capillary | Squalane | 86. | 621. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Capillary | Apiezon L | 40. to 190. | 629. | Mann, Mühlstädt, et al., 1967 | Column length: 2. m |
Packed | Methyl Silicone | 50. | 627. | 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 | 631. | 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 | 625. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | DB-1 | 630. | 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 | SF-96 | 634. | 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 | 631. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 630. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 631. | 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 | 630. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 630. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 626. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 630. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | DB-1 | 631. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 629. | Spieksma, 1999 | Program: not specified |
Capillary | SE-54 | 629. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 630. | Zhu and He, 1999 | Program: not specified |
Capillary | DB-1 | 626. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 628. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | Squalane | 624. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 632. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | Apieson L | 630. | Kojima, Fujii, et al., 1980 | Chromosorb W; Column length: 20. m; Program: not specified |
Packed | SE-30 | 640. | Robinson and Odell, 1971 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 641. | Robinson and Odell, 1971 | 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 | 611. | 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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
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Rijks and Cramers, 1974
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High precision capillary gas chromatography of hydrocarbons,
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Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
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Mitra, G.D.; Saha, N.C.,
Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
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Matukuma, 1969
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Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Hively and Hinton, 1968
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Variation of the retention index with temperature on squalane substrates,
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Structural analysis of industrial butene dimers by gas chromatography,
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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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Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
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Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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. [all data]
Louis, 1971
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Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
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Haagen-Smit Laboratory,
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Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure S°gas Entropy of gas at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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