Pentane, 2,2,4-trimethyl-
- Formula: C8H18
- Molecular weight: 114.2285
- IUPAC Standard InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
- CAS Registry Number: 540-84-1
- 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: Isooctane; Isobutyltrimethylmethane; 2,2,4-Trimethylpentane; (CH3)2CHCH2C(CH3)3; Isobutyltrimethylethane; UN 1262
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -53.57 ± 0.32 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.209 | 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 |
41.580 | 273.15 | ||
45.03 ± 0.1 | 298.15 | ||
45.280 | 300. | ||
58.461 | 400. | ||
70.129 | 500. | ||
80.201 | 600. | ||
88.901 | 700. | ||
96.401 | 800. | ||
102.90 | 900. | ||
108.70 | 1000. | ||
113.70 | 1100. | ||
118.20 | 1200. | ||
122.00 | 1300. | ||
126.00 | 1400. | ||
129.00 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 | -61.98 ± 0.32 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1305.29 ± 0.30 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -61.95 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 78.401 | cal/mol*K | N/A | Pitzer K.S., 1940 | DH |
S°liquid | 75.19 | cal/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 66.53 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
57.957 | 298.15 | Costas, Huu, et al., 1988 | DH |
57.957 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
57.292 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
56.848 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
57.0915 | 298.15 | Fortier and Benson, 1976 | Average of three values.; DH |
56.84 | 298.15 | Rajagopal and Subrahmanyam, 1974 | T = 298.15 to 323.15 K.; DH |
56.84 | 298.15 | Subrahmanyam and Rajagopal, 1973 | T = 298 to 323 K.; DH |
55.86 | 300. | Auerbach, Sage, et al., 1950 | T = 300 to 366 K. Cp given as 0.4980 Btu/lb*R at 80 F.; DH |
57.020 | 298.15 | Osborne and Ginnings, 1947 | T = 283 to 318 K.; DH |
57.600 | 301.9 | Pitzer K.S., 1940 | T = 15 to 318 K. Value is unsmoothed experimental datum.; DH |
55.90 | 295.2 | Parks, Huffman, et al., 1930 | T = 88 to 295 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 372.4 ± 0.2 | K | AVG | N/A | Average of 49 out of 52 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 165.77 ± 0.06 | K | AVG | N/A | Average of 37 out of 44 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 165.760 | K | N/A | Streiff, 1959 | Uncertainty assigned by TRC = 0.4 K; TRC |
Ttriple | 165.3 | K | N/A | Parks, Huffman, et al., 1930, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 543.9 ± 0.4 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 25.4 ± 0.2 | atm | N/A | Daubert, 1996 | |
Pc | 25.340 | atm | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4000 atm; TRC |
Pc | 25.3080 | atm | N/A | Kay and Warzel, 1951 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Pc | 25.5000 | atm | N/A | Beattie and Edwards, 1948 | Uncertainty assigned by TRC = 0.1499 atm; from observed isotherms in critical region; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.468 | l/mol | N/A | Daubert, 1996 | |
Vc | 0.482 | l/mol | N/A | Beattie and Edwards, 1948 | Uncertainty assigned by TRC = 0.02 l/mol; from observed isotherms in the critical region; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.14 ± 0.02 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.13 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
ρc | 2.13 | mol/l | N/A | Kay and Warzel, 1951 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.39 ± 0.05 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.359 | 372.4 | N/A | Majer and Svoboda, 1985 | |
8.63 | 304. | N/A | Wu, Pividal, et al., 1991 | Based on data from 289. to 333. K.; AC |
7.55 | 438. | A | Stephenson and Malanowski, 1987 | Based on data from 423. to 523. K.; AC |
7.70 | 387. | A | Stephenson and Malanowski, 1987 | Based on data from 372. to 416. K.; AC |
7.53 | 428. | A | Stephenson and Malanowski, 1987 | Based on data from 413. to 494. K.; AC |
7.50 | 505. | A | Stephenson and Malanowski, 1987 | Based on data from 490. to 544. K.; AC |
9.73 | 209. | A | Stephenson and Malanowski, 1987 | Based on data from 194. to 299. K. See also Milazzo, 1956.; AC |
8.32 | 312. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 297. to 374. K. See also Willingham, Taylor, et al., 1945.; AC |
8.22 ± 0.02 | 313. | C | Svoboda, Charvátová, et al., 1982 | AC |
7.98 ± 0.02 | 328. | C | Svoboda, Charvátová, et al., 1982 | AC |
7.79 ± 0.02 | 343. | C | Svoboda, Charvátová, et al., 1982 | AC |
7.58 ± 0.02 | 358. | C | Svoboda, Charvátová, et al., 1982 | AC |
7.41 ± 0.02 | 368. | C | Svoboda, Charvátová, et al., 1982 | AC |
8.20 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
7.93 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
7.65 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
7.41 | 371. | C | Pitzer K.S., 1940 | AC |
8.10 | 333. | EB | Smith, 1940 | Based on data from 318. to 399. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 353. | 12.02 | 0.2668 | 543.9 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
194.64 to 298.44 | 3.94165 | 1282.332 | -48.444 | Milazzo, 1956, 2 | Coefficents calculated by NIST from author's data. |
297.51 to 373.28 | 3.93108 | 1257.84 | -52.415 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.2016 | 165.79 | Pitzer K.S., 1940 | DH |
2.16 | 165.3 | Domalski and Hearing, 1996 | AC |
2.161 | 165.3 | Parks, Huffman, et al., 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.28 | 165.79 | Pitzer K.S., 1940 | DH |
13.07 | 165.3 | Parks, Huffman, et al., 1930 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C8H16 + H2 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -25.5 | kcal/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -26.99 ± 0.06 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -27.24 ± 0.06 kcal/mol; At 355 °K |
ΔrH° | -28.58 ± 0.80 | kcal/mol | Chyd | Crawford and Parks, 1936 | liquid phase |
By formula: C8H16 + H2 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.8 | kcal/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -28.39 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; At 355 °K |
By formula: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.24 ± 0.25 | kcal/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 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 |
---|---|---|---|---|
0.00030 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.00031 | L | N/A | ||
0.00033 | V | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 | HP-1 | 0. | 692.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 689.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 694. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 691.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 689.9 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 690.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 690.6 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Packed | PMS-1000 | 90. | 693. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Capillary | Methyl Silicone | 150. | 700. | Berezkin, Korolev, et al., 2002 | He; Column length: 15. m; Column diameter: 0.24 mm |
Packed | C78, Branched paraffin | 130. | 694.9 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | Squalane | 100. | 691. | Heinzen, Soares, et al., 1999 | |
Packed | Squalane | 78.5 | 693.5 | Zhang and Lu, 1996 | |
Capillary | OV-101 | 150. | 697.7 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 703.1 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 687. | Hilal, Carreira, et al., 1994 | |
Packed | C78, Branched paraffin | 130. | 694.1 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 694. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-1 | 60. | 691. | Engewald, Maurer, et al., 1989 | |
Capillary | OV-101 | 40. | 689. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 691. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 694. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 689.9 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 692.2 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Packed | Squalane | 80. | 693. | Fernández-Sánchez, García-Domínguez, et al., 1987 | H2 |
Capillary | Nonpolar | 45. | 690. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 52.5 | 690. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 55. | 691. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 691. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 691. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 65. | 692. | Stoyanov and Dimov, 1987 | |
Packed | SE-30 | 150. | 695. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Capillary | OV-101 | 30. | 688. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 689. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 690. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 691. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 692. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 694. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 686.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 687.5 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 688.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 689.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 690.7 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 691.9 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 691.4 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 691.3 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 689. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 690. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 690. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Packed | Squalane | 100. | 696. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Packed | Triacontane | 80. | 691. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 694. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | SE-30 | 80. | 693. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Capillary | Squalane | 60. | 691. | Chretien and Dubois, 1976 | |
Packed | Apolane | 70. | 688.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 50. | 690. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 692. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 684. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 686. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 686. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 687. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 688. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 690.3 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 695. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 699. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Squalane | 25. | 687. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 694. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 40. | 689. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Apiezon L | 100. | 689. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 27. | 688. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 690. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 692. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 694. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 688. | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 690. | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 688. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 690. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 692. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 696. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 22. | 687. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 689. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 689. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 692. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 60. | 691. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 693. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 80. | 694. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 26. | 687. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Packed | Apiezon L | 130. | 694. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 690. | 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 | 680. | 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 | 686. | 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 | 685. | 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 | 688.44 | 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 | 689. | 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 | 75. | 676. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 687. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | Petrocol DH | 687.5 | 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 | 683.91 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | OV-101 | 688.0 | 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 | Ultra-1 | 687. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 686. | 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 | 686. | 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 | 684.80 | 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 | HP-PONA | 691. | Maignial, Pibarot, et al., 1992 | 50. m/0.2 mm/0.5 μm; Program: 20C(0.5min) => fast => 60C => 4C/min => 250C |
Capillary | OV-101 | 688. | Wu and Lu, 1984 | Program: not specified |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 698. | Maignial, Pibarot, et al., 1992 | 60. m/0.25 mm/0.25 μm; Program: 20C(0.5min) => fast => 60C => 4C/min => 220C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 690. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 100. | 695. | Dimov N., 1976 | |
Capillary | Squalane | 70. | 692. | Dimov N., 1976 | |
Capillary | Squalane | 86. | 693. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 689. | 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 | 689. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | HP-5 MS | 691. | Zenkevich, Makarov A.A., et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; Tstart: 50. C |
Capillary | BP-1 | 691. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | Methyl Silicone | 684.38 | 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 | 689. | 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 | DB-1 | 689. | 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 | 689. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | SF-96 | 690. | 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 | 694. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 690. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 691. | 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 | 692. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 691. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 688. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 688. | Spieksma, 1999 | Program: not specified |
Capillary | SPB-1 | 692. | 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 | 685. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 685. | 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 | 692. | 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. | 686. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 700. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | SE-30 | 700. | 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) |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 711. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 705. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
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Boiling points of n-heptane and 2,2,4-trimethylpentane over the range 100- to 1,500-millimeter pressure,
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Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
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The heat of hydrogenation of diisobutylene,
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Heats of isomerization of the 18 octanes,
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. [all data]
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Fernández-Sánchez, García-Domínguez, et al., 1987
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Prediction of gas chromatographic retention indices on binary mixed stationary phases,
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Stoyanov and Dimov, 1987
Stoyanov, E.; Dimov, N.,
Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions,
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. [all data]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
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Chien, Furio, et al., 1983
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents,
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. [all data]
Chien, Furio, et al., 1983, 2
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J.,
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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. [all data]
Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL.,
Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 6, 328-332, https://doi.org/10.1002/jhrc.1240060612
. [all data]
Johansen and Ettre, 1982
Johansen, N.G.; Ettre, L.S.,
Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
Chromatographia, 1982, 15, 10, 625-630, https://doi.org/10.1007/BF02279488
. [all data]
Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V.,
Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure,
Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060
. [all data]
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,
J. Chromatogr., 1979, 175, 1, 27-35, https://doi.org/10.1016/S0021-9673(00)86400-6
. [all data]
Dimov and Papazova, 1979
Dimov, N.; Papazova, D.,
Calculation of retention indices of isoparaffins on different phases,
Chromatographia, 1979, 12, 7, 443-447, https://doi.org/10.1007/BF02302987
. [all data]
Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1
. [all data]
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,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [all data]
Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819
. [all data]
Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P.,
Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography
in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]
Dimov and Schopov, 1971
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas 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 Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction 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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