Cyclopentane, ethyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: IFTRQJLVEBNKJK-UHFFFAOYSA-N
- CAS Registry Number: 1640-89-7
- 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: Ethylcyclopentane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 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 | -30.37 ± 0.25 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -30.93 | kcal/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -165.8±1.6 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 36.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 90.421 | cal/mol*K | N/A | Stull D.R., 1969 | This value was obtained using low temperature data of [ Gross M.E., 1953].; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.83 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values are in close agreement with those calculated by a method of increments [ Kilpatrick J.E., 1947].; GT |
15.58 | 100. | ||
18.59 | 150. | ||
22.13 | 200. | ||
29.18 | 273.15 | ||
31.93 | 298.15 | ||
32.15 | 300. | ||
43.50 | 400. | ||
53.73 | 500. | ||
62.28 | 600. | ||
69.43 | 700. | ||
75.45 | 800. | ||
80.57 | 900. | ||
84.94 | 1000. | ||
88.72 | 1100. | ||
91.95 | 1200. | ||
94.74 | 1300. | ||
97.16 | 1400. | ||
99.24 | 1500. | ||
103.4 | 1750. | ||
106.4 | 2000. | ||
108.6 | 2250. | ||
110.2 | 2500. | ||
111.5 | 2750. | ||
112.5 | 3000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 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 | -39.08 ± 0.24 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -39.62 ± 0.38 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -39.97 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1097.50 ± 0.22 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -39.06 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1096.94 ± 0.37 | kcal/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1096.47 ± 0.37 kcal/mol; Corresponding ΔfHºliquid = -39.62 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 66.900 | cal/mol*K | N/A | Gross, Oliver, et al., 1953 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.840 | 301.83 | Gross, Oliver, et al., 1953 | T = 13 to 300 K. Unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 376.6 ± 0.2 | K | AVG | N/A | Average of 26 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 134.5 ± 0.9 | K | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 134.4 ± 0.7 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 569.5 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 569.5 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 569.45 | K | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.6 ± 0.4 | atm | N/A | Daubert, 1996 | |
Pc | 33.5260 | atm | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.0499 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.375 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.67 ± 0.04 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.67 | mol/l | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.717 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.72 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 8.70 | kcal/mol | N/A | Prosen, Johnson, et al., 1946 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.639 | 376.6 | N/A | Majer and Svoboda, 1985 | |
8.48 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 387. K.; AC |
7.86 | 401. | A | Stephenson and Malanowski, 1987 | Based on data from 386. to 507. K.; AC |
7.62 | 514. | A | Stephenson and Malanowski, 1987 | Based on data from 499. to 569. K.; AC |
8.51 ± 0.02 | 313. | C | Svoboda, Charvátová, et al., 1981 | AC |
8.32 ± 0.02 | 328. | C | Svoboda, Charvátová, et al., 1981 | AC |
8.10 ± 0.02 | 343. | C | Svoboda, Charvátová, et al., 1981 | AC |
7.89 ± 0.02 | 358. | C | Svoboda, Charvátová, et al., 1981 | AC |
7.77 ± 0.02 | 368. | C | Svoboda, Charvátová, et al., 1981 | AC |
8.53 | 317. | N/A | Forziati, Norris, et al., 1949 | Based on data from 302. to 377. 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 |
---|---|---|---|---|---|
313. to 368. | 12.27 | 0.2716 | 569.5 | 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 |
---|---|---|---|---|---|
301.93 to 377.54 | 4.01713 | 1305.001 | -51.755 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.64 | 134.7 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.6418 | 134.73 | crystaline, I | liquid | Gross, Oliver, et al., 1953 | Form stable above 129.5 K.; DH |
0.69417 | 134.03 | crystaline, II | liquid | Gross, Oliver, et al., 1953 | Form stable below 129.5 K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
12.19 | 134.73 | crystaline, I | liquid | Gross, Oliver, et al., 1953 | Form; DH |
14.09 | 134.03 | crystaline, II | liquid | Gross, Oliver, et al., 1953 | Form; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: 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: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.36 ± 0.15 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
ΔrH° | -23.5 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
ΔrH° | -23.56 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -23.56 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -25.6 ± 0.1 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
ΔrH° | -24.2 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
ΔrH° | -24.88 ± 0.12 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -24.88 ± 0.12 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.4 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.37 ± 0.11 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -87.1 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
≤9.60 | EI | Holmes and Lossing, 1991 | LL |
10.12 ± 0.02 | PE | Rang, Paldoia, et al., 1974 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4000 |
NIST MS number | 231044 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 0. | 722. | Skrbic, 1997 | |
Capillary | CP Sil 2 | 60. | 741.5 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | Squalane | 25. | 729. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 734.3 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 734.5 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 734.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 734.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | Squalane | 50. | 733.8 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 737.5 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | HP-1 | 60. | 734. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 735. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 40. | 729. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 733. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 737. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 733.1 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 737. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Nonpolar | 45. | 733. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 52.5 | 735. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 736. | Stoyanov and Dimov, 1987 | |
Capillary | OV-101 | 40. | 729.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 731.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 734.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 735.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 100. | 743.4 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Capillary | OV-101 | 30. | 727. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 729. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 731. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 733. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 735. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 737. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 734.3 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 734.8 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | SE-30 | 130. | 750. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 739. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 50. | 732. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 732. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 732. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | Squalane | 86. | 741.3 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 741.5 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 737.1 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 737.9 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 100. | 743. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 733.1 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 738.1 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 738.1 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 744. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 736. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 740. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 734. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 738. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 748. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 743. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 734. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 737. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 738. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 740. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 742. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 734.4 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Vacuum Grease Oil (VM-4) | 35. | 734. | Sidorov, Ivanova, et al., 1971 | |
Capillary | Squalane | 70. | 737. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 737. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 737. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 130. | 749. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 27. | 729. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 734. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 738. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 741. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 738. | Schomburg, 1966 | |
Capillary | Squalane | 70. | 738. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 738. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 749. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 733. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | SE-54 | 725. | 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 | 725. | 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 | 745. | 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 | 728.7 | 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 | 732. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG 4000 | 100. | 817. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 801. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 809. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 100. | 817. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 736. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 731. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Petrocol DH | 732.0 | 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 | 725.65 | 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 | 726.06 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | DB-1 | 724.5 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | DB-5 | 733.3 | 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 | 729.7 | 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 | Petrocol DH | 726.90 | 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 | 726.98 | 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 | 727.03 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 727.17 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 727. | 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 | 732.4 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 729.1 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 728.5 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Capillary | OV-101 | 725. | 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 | CP-Sil 8CB-MS | 734. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 730. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 734. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 732. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 735. | Wu and Lu, 1984 | |
Packed | Synachrom | 150. | 711. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Capillary | Squalane | 86. | 730. | 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 | 731. | 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 | 730. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 727. | 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 | SE-54 | 730. | 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 | DB-1 | 727. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 729. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 749. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 734. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 736. | 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 | DB-5 MS | 751. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 734. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | DB-1 | 734. | Zhu and Wang, 2001 | Program: not specified |
Capillary | CP-Sil5 CB MS | 728. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Capillary | Methyl Silicone | 728. | Spieksma, 1999 | Program: not specified |
Capillary | SE-54 | 736. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 739. | Zhu and He, 1999 | Program: not specified |
Capillary | Methyl Silicone | 728. | Xu, Chu, et al., 1995 | Program: not specified |
Capillary | DB-1 | 726. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 722. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | SE-52 | 734. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 725. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 733. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 739. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | Squalane | 753. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 773. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons,
J. Res. NBS, 1946, 37, 51-56. [all data]
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Gross M.E., 1953
Gross M.E.,
Low-temperature thermal data for some C7H14 alkylcyclopentanes,
J. Am. Chem. Soc., 1953, 75, 2801-2804. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Kilpatrick J.E., 1947
Kilpatrick J.E.,
Heats, equilibrium constants, and free energies of formation of the alkylcyclopentanes and alkylcyclohexanes,
J. Res. Nat. Bur. Stand., 1947, 39, 523-543. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Gross, Oliver, et al., 1953
Gross, M.E.; Oliver, G.D.; Huffman, H.M.,
Low-temperature thermal data for some C7H14 alkylcyclopentanes,
J. Am. Chem. Soc., 1953, 75, 2801-2804. [all data]
Daubert, 1996
Daubert, T.E.,
Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes,
J. Chem. Eng. Data, 1996, 41, 365-372. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Kay, 1947
Kay, W.B.,
Vapor Pressures and Saturated Liquid and Vapor DEensities of Cyclopentane, Methylcyclopentane, Ethylcyclopentane, and Methylcyclohexane,
J. Am. Chem. Soc., 1947, 69, 1273-7. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Svoboda, Charvátová, et al., 1981
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Pick, Jirí,
Determination of heats of vaporization and some other thermodynamic quantities for four alkylcycloparaffins,
Collect. Czech. Chem. Commun., 1981, 46, 12, 2983-2988, https://doi.org/10.1135/cccc19812983
. [all data]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N.,
Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements,
Tetrahedron, 1982, 38, 1593-1597. [all data]
Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J.,
A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring,
Tetrahedron, 1971, 27, 3765-3775. [all data]
Turner and Garner, 1958
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]
Turner and Garner, 1957
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1957, 80, 1424-1430. [all data]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A.,
Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes,
Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]
Skrbic, 1997
Skrbic, B.D.,
Unified retention concept -- statistical treatment of Kováts retention index,
J. Chromatogr. A, 1997, 764, 2, 257-264, https://doi.org/10.1016/S0021-9673(96)00955-7
. [all data]
Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche,
The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703
. [all data]
Hilal, Carreira, et al., 1994
Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M.,
Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
J. Chromatogr. A, 1994, 662, 2, 269-280, https://doi.org/10.1016/0021-9673(94)80515-6
. [all data]
Krupcik, Skacani, et al., 1994
Krupcik, J.; Skacani, I.; Benicka, E.; Sandra, P.,
Dependence of gas chromatographic retention data of hydrocarbons on the film thickness of the polydimethylsiloxane stationary phase,
Collect. Czech. Chem. Commun., 1994, 59, 11, 2390-2396, https://doi.org/10.1135/cccc19942390
. [all data]
Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A.,
Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography,
J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3
. [all data]
Bangjie, Yijian, et al., 1988
Bangjie, C.; Yijian, G.; Shaoyi, P.,
Calculation of retention indices at an assigned temperature from temperature programmed data,
Chromatographia, 1988, 25, 6, 539-542, https://doi.org/10.1007/BF02324830
. [all data]
Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H.,
Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908
. [all data]
Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L.,
Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
Zh. Anal. Khim., 1988, 43, 127-135. [all data]
Stoyanov and Dimov, 1987
Stoyanov, E.; Dimov, N.,
Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions,
Anal. Chim. Acta., 1987, 201, 207-216, https://doi.org/10.1016/S0003-2670(00)85338-6
. [all data]
Boneva and Dimov, 1986
Boneva, S.; Dimov, N.,
Unified retention index of hydrocarbons separated on dimethylsilicone OV-101,
Chromatographia, 1986, 21, 12, 697-700, https://doi.org/10.1007/BF02313682
. [all data]
Anders, Anders, et al., 1985
Anders, G.; Anders, K.; Engewald, W.,
Identification of non-branched alkenylcycloalkanes with a terminal double bond from retention index increments,
Chromatographia, 1985, 20, 2, 83-86, https://doi.org/10.1007/BF02280602
. [all data]
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,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 10, 577-580, https://doi.org/10.1002/jhrc.1240061013
. [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]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [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, 1979
Nabivach, V.M.; Kirilenko, A.V.,
The use of retention indices for identifying the components of crude benzene,
Solid Fuel Chem. (Engl. Transl.), 1979, 13, 3, 82-87. [all data]
Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O.,
Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes,
Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862
. [all data]
Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N.,
Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]
Dielmann, Schwengers, et al., 1974
Dielmann, G.; Schwengers, D.; Schomburg, G.,
Gas-chromatographische Retentionsdaten und Strukture chemischer Verbindungen Gesättigte und ungesättigte alkylsubstituierte Cyclopentane und Methylcyclopentane,
Chromatographia, 1974, 7, 5, 215-224, https://doi.org/10.1007/BF02321771
. [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]
Agrawal, Tesarík, et al., 1972
Agrawal, B.B.; Tesarík, K.; Janák, J.,
Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indices,
J. Chromatogr., 1972, 65, 1, 207-215, https://doi.org/10.1016/S0021-9673(00)86933-2
. [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
Dimov, N.; Schopov, D.,
Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
J. Chromatogr., 1971, 63, 223-228, https://doi.org/10.1016/S0021-9673(01)85634-X
. [all data]
Sidorov, Ivanova, et al., 1971
Sidorov, R.I.; Ivanova, M.P.; Petrova, V.I.,
Temperature dependence of cycloalkane's retention and its using in identification of structure,
Gazovaya Khromatografiya, 1971, 15, 18-26. [all data]
Cramers, Rijks, et al., 1970
Cramers, C.A.; Rijks, J.A.; Pacáková, V.; de Andrade, I.R.,
The application of precision gas chromatography to the identification of types of hydrocarbons,
J. Chromatogr., 1970, 51, 13-21, https://doi.org/10.1016/S0021-9673(01)96835-9
. [all data]
Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C.,
Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
J. Chromatogr. Sci., 1970, 8, 2, 95-102, https://doi.org/10.1093/chromsci/8.2.95
. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G.,
Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier,
Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]
Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R.,
Volatile constituents of used frying oils,
J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X
. [all data]
Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F
. [all data]
Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [all data]
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,
J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922
. [all data]
LECO Corporation, 2003
LECO Corporation,
Determination of hydrocarbon components in petroleum naphthas, 2003, retrieved from http://www.leco.org/customersupport/apps/separationscience/-190.pdf. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [all data]
Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M.,
Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography,
J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4
. [all data]
Subramaniam, Bochniak, et al., 1994
Subramaniam, B.; Bochniak, D.; Snavely, K.,
Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [all data]
White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R.,
Characterization of synthetic gasoline from the chloromethane-zeolite reaction,
Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012
. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Bangjie, Xijian, et al., 1987
Bangjie, C.; Xijian, G.; Shaoyi, P.,
Calculation of retention indices in temperature-programmed gas chromatography,
Chromatographia, 1987, 23, 12, 888-892, https://doi.org/10.1007/BF02261466
. [all data]
Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Li and Deng, 1998
Li, H.; Deng, C.,
Qualitative analysis of light components of gasoline cracking using Kovats retention indices,
J. Instrumental Analysis, 1998, 17, 1, 67-69. [all data]
Wu and Lu, 1984
Wu, J.; Lu, W.,
Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101,
Chin. J. Chromatogr., 1984, 1, 1, 11-17. [all data]
Dufka, Malinsky, et al., 1971
Dufka, O.; Malinsky, J.; Vladyka, J.,
Sorpcni materialy pro plynovou chromatographii - III,
Chemicky promysl., 1971, 21/46, 9, 459-463. [all data]
Vigdergauz and Martynov, 1971
Vigdergauz, M.S.; Martynov, A.A.,
Some applications of the gas chromatographic linear retention indices,
Chromatographia, 1971, 4, 10, 463-467, https://doi.org/10.1007/BF02268816
. [all data]
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]
Guan, Li, et al., 1995
Guan, Y.; Li, L.; Zhou, L.,
Live retention database for compound identification in capillary gas chromatography,
Chin. J. Chromatogr., 1995, 13, 5, 851-857. [all data]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Feng and Mu, 2007
Feng, H.; Mu, L.-L.,
Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index,
Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]
Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053
. [all data]
Luo and Agnew, 2001
Luo, J.; Agnew, M.P.,
Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes,
Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220
. [all data]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Zhu and Wang, 2001
Zhu, X.; Wang, W.,
The relationship between partition coefficients of hydrocarbons and their retention indices,
Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]
Tirillini, Verdelli, et al., 2000
Tirillini, B.; Verdelli, G.; Paolocci, F.; Ciccioli, P.; Frattoni, M.,
The volatile organic compounds from the mycelium of Tuber borchii Vitt.,
Phytochemistry, 2000, 55, 8, 983-985, https://doi.org/10.1016/S0031-9422(00)00308-3
. [all data]
Spieksma, 1999
Spieksma, W.,
Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool,
J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2
. [all data]
Zhu and He, 1999
Zhu, X.; He, L.,
Derivation of isothermal retention indices from a retention values under multiple-ramp temperature-programmed conditions,
J. Instrum. Anal. (Chinese), 1999, 18, 6, 10-12. [all data]
Xu, Chu, et al., 1995
Xu, X.; Chu, S.; Song, N.,
Application of chromatographic studies of air pollution in China,
J. Chromatogr. A, 1995, 710, 1, 21-37, https://doi.org/10.1016/0021-9673(95)00173-K
. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Skrbic and Cvejanov, 1993
Skrbic, B.D.; Cvejanov, J.Dj.,
Correlation of unified retention indices for OV-101 and squalane,
Chromatographia, 1993, 35, 1/2, 109-110, https://doi.org/10.1007/BF02278566
. [all data]
van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
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,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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°gas Entropy of gas at standard conditions 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 ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 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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