Pentane, 3,3-dimethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChIKey: AEXMKKGTQYQZCS-UHFFFAOYSA-N
- CAS Registry Number: 562-49-2
- 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: 3,3-Dimethylpentane; (C2H5)2C(CH3)2
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction 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:
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 | -48.17 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°gas | -49.21 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -239.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 33.1 kj/mol from Prosen and Rossini, 1945.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 95.129 | cal/mol*K | N/A | Finke H.L., 1976 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.799 ± 0.088 | 344.13 | Hossenlopp I.A., 1981 | GT |
47.247 ± 0.096 | 366.22 | ||
51.27 ± 0.10 | 402.31 | ||
56.19 ± 0.11 | 449.30 | ||
59.92 ± 0.12 | 487.21 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.180 | 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 |
36.561 | 273.15 | ||
39.6 ± 0.2 | 298.15 | ||
39.840 | 300. | ||
51.470 | 400. | ||
61.771 | 500. | ||
70.700 | 600. | ||
78.301 | 700. | ||
84.900 | 800. | ||
90.700 | 900. | ||
95.700 | 1000. | ||
100.20 | 1100. | ||
104.10 | 1200. | ||
108.00 | 1300. | ||
111.00 | 1400. | ||
114.00 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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:
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 | -56.07 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
ΔfH°liquid | -57.0 ± 0.3 | kcal/mol | Ccb | Davies and Gilbert, 1941 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1148.83 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -56.05 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1147.7 ± 0.3 | kcal/mol | Ccb | Davies and Gilbert, 1941 | Corresponding ΔfHºliquid = -57.14 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 73.04 | cal/mol*K | N/A | Finke, Messerly, et al., 1976 | DH |
S°liquid | 70.10 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 60.67 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.34 | 298.15 | Finke, Messerly, et al., 1976 | T = 10 to 400 K.; DH |
50.60 | 292.9 | Huffman, Parks, et al., 1930 | T = 92 to 293 K. Value is unsmoothed experimental datum.; DH |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 | 359.2 ± 0.2 | K | AVG | N/A | Average of 34 out of 38 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 138.1 ± 0.9 | K | AVG | N/A | Average of 25 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 138.75 | K | N/A | Finke, Messerly, et al., 1976, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 138.2 | K | N/A | Finke, Messerly, et al., 1976, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.03 K; C2 is metastable at the melting point; TRC |
Ttriple | 138.2 | K | N/A | Huffman, Parks, et al., 1930, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 536.4 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 536.3 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 536.34 | K | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 29.1 ± 0.5 | atm | N/A | Daubert, 1996 | |
Pc | 29.073 | atm | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.414 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.42 ± 0.05 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.42 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.923 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 7.89 ± 0.02 | kcal/mol | C | Hossenlopp and Scott, 1981 | AC |
ΔvapH° | 7.89 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 7.89 ± 0.02 | kcal/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 7.892 | kcal/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.079 | 359.2 | N/A | Majer and Svoboda, 1985 | |
8.32 | 266. | N/A | Stephenson and Malanowski, 1987 | Based on data from 213. to 281. K.; AC |
8.03 | 295. | N/A | Stephenson and Malanowski, 1987 | Based on data from 280. to 360. K.; AC |
7.96 | 300. | MM | Stephenson and Malanowski, 1987 | Based on data from 285. to 360. K. See also Willingham, Taylor, et al., 1945.; AC |
7.93 | 302. | N/A | Forziati, Norris, et al., 1949 | Based on data from 287. to 360. 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 359. | 11.36 | 0.2661 | 536.3 | 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 |
---|---|---|---|---|---|
286.63 to 360.11 | 3.94997 | 1230.986 | -47.568 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.69 | 138.2 | Domalski and Hearing, 1996 | AC |
1.689 | 138.2 | Huffman, Parks, et al., 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.22 | 138.2 | Huffman, Parks, et al., 1930 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.1897 | 132.7 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1976 | DH |
1.8266 | 138.20 | crystaline, II | liquid | Finke, Messerly, et al., 1976 | DH |
1.6363 | 138.75 | crystaline, I | liquid | Finke, Messerly, et al., 1976 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.43 | 132.7 | crystaline, II | crystaline, I | Finke, Messerly, et al., 1976 | DH |
13.22 | 138.20 | crystaline, II | liquid | Finke, Messerly, et al., 1976 | DH |
11.79 | 138.75 | crystaline, I | liquid | Finke, Messerly, et al., 1976 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 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: C7H16 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.44 ± 0.15 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization |
ΔrH° | -3.24 ± 0.21 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization |
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.37 ± 0.24 | kcal/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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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. |
---|---|
NIST MS number | 19768 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 653.1 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 656.3 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 660. | Heinzen, Soares, et al., 1999 | |
Capillary | OV-101 | 0. | 649. | Skrbic, 1997 | |
Packed | Squalane | 78.5 | 662.8 | Zhang and Lu, 1996 | |
Capillary | CP Sil 2 | 60. | 658.0 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | Squalane | 25. | 656. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 658.1 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 658.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 658.1 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 658.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 657.9 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | OV-1 | 45. | 656.2 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 659. | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 658.9 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 661.5 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 50. | 658.5 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 661.2 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 40. | 654.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 656.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 657.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 659.2 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 654. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 656. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 657. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 658. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 659. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 661. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 654.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 655.9 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 657.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 658.7 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 660.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 661.9 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 658.1 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 658.1 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 656. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 656. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 658. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 658. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SF-96 | 50. | 656. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 655. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 656.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 658. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 659.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 661.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 663.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 657. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 657.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 657.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 658.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 658.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 659.3 | Chien, Kopecni, et al., 1981 | H2 |
Packed | Triacontane | 70. | 661. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Triacontane | 80. | 662. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 70. | 662. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 663. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | OV-1 | 80. | 657. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Capillary | Squalane | 60. | 660. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 643. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 659. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 662. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SF-96 | 100. | 664.21 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 110. | 665.95 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 120. | 667.8 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 80. | 660.59 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Packed | SF-96 | 90. | 662.46 | Castello, Berg, et al., 1973 | Chromosorb P(DMCS); Column length: 4. m |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 654. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 656. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 657. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 658. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 660. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 659.1 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 80. | 660. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 25. | 656. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 662. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 40. | 658. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 656. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 659. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 661. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 664. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 30. | 656. | Tourres, 1967 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 659. | Tourres, 1967 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 662. | Tourres, 1967 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 656. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 657. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 660. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 661. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 26. | 656. | 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 | 646. | 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 | 657. | 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 | 654.25 | 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) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 651.9 | 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 | 643.69 | 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 | 644.47 | 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 | 651.5 | 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 | 650.5 | 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 | 647.31 | 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 | 647.32 | 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 | 648. | 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 | 646. | 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 | 650. | 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. | 651. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 659. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 656. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 659. | Wu and Lu, 1984, 2 | |
Capillary | Squalane | 100. | 666. | Dimov N., 1976 | |
Capillary | Squalane | 70. | 662. | Dimov N., 1976 | |
Capillary | Squalane | 86. | 653. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Capillary | Apiezon L | 40. to 190. | 661. | Mann, Mühlstädt, et al., 1967 | Column length: 2. m |
Packed | Methyl Silicone | 50. | 652. | 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 | 653. | 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 | 647. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 664. | Chen and Feng, 2007 | Program: not specified |
Capillary | OV-101 | 660. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 660. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 650. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 659. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | Methyl Silicone | 653. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 659. | Zenkevich, 1999 | Program: not specified |
Capillary | DB-1 | 647. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 649. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | Squalane | 654. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 646. | 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. | 657. | 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. | 658. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 653. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 669. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | Squalane | 669. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C.,
Heats of combustion and formation of the nine isomeric heptanes in the liquid state,
J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]
Finke H.L., 1976
Finke H.L.,
Low-temperature thermal quantities for five alkyl-substituted pentanes,
J. Chem. Thermodyn., 1976, 8, 965-983. [all data]
Hossenlopp I.A., 1981
Hossenlopp I.A.,
Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons,
J. Chem. Thermodyn., 1981, 13, 415-421. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Finke, Messerly, et al., 1976
Finke, H.L.; Messerly, J.F.; Douslin, D.R.,
Low-temperature thermal quantities for five alkyl-substituted pentanes,
J. Chem. Thermodynam., 1976, 8, 965-983. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B.,
Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes,
J. Am. Chem. Soc., 1930, 52, 3241-3251. [all data]
Finke, Messerly, et al., 1976, 2
Finke, H.L.; Messerly, J.F.; Douslin, D.R.,
Low-Temp. Thermal Quantities for Five Alkyl-Substituted Pentanes,
J. Chem. Thermodyn., 1976, 8, 965. [all data]
Huffman, Parks, et al., 1930, 2
Huffman, H.M.; Parks, G.S.; Thomas, S.B.,
Thermal Data on Organic Compounds. VII The Heat Capacities, Entropies and Free Energies of the Isomeric Heptanes,
J. Am. Chem. Soc., 1930, 52, 3241. [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]
McMicking and Kay, 1965
McMicking, J.H.; Kay, W.B.,
Vapor Pressures and Saturated Liquid and Vapor Densities of The Isomeric Heptanes and Isomeric Octanes,
Proc., Am. Pet. Inst., Sect. 3, 1965, 45, 75-90. [all data]
Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W.,
Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons,
J. Chem. Thermodyn., 1981, 13, 415-421. [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]
Osborne and Ginnings, 1947
Osborne, Nathan S.; Ginnings, Defoe C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031
. [all data]
Osborne and Ginnings, 1947, 2
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [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]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [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]
Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D.,
Heats of isomerization of the nine heptanes,
J. Res. NBS, 1941, 27, 519-528. [all data]
Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene,
J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]
Chen, Liang, et al., 2001
Chen, J.P.; Liang, X.M.; Zhang, Q.; Zhang, L.F.,
Prediction of GC retention values under various column temperature conditions from temperature programmed data,
Chromatographia, 2001, 53, 9/10, 539-547, https://doi.org/10.1007/BF02491619
. [all data]
Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A.,
Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes,
J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0
. [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]
Zhang and Lu, 1996
Zhang, X.; Lu, P.,
Unified equation between Kováts indices on different stationary phases for select types of compounds,
J. Chromatogr. A, 1996, 731, 1-2, 187-199, https://doi.org/10.1016/0021-9673(95)01213-3
. [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]
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]
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]
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]
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,
J. Hi. Res. Chromatogr., 1983, 6, 12, 669-679, https://doi.org/10.1002/jhrc.1240061207
. [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]
Chien, Kopecni, et al., 1981
Chien, C.-F.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-1 and SE-30 Polydimethylsiloxane Solvents,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 10, 539-543, https://doi.org/10.1002/jhrc.1240041017
. [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]
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]
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]
Castello, Berg, et al., 1973
Castello, G.; Berg, M.; Lunardelli, M.,
Temperature dependence of the retention indices of branched-chain paraffins on non-polar stationary phases. A method for its calculation on the basis of molecular structure,
J. Chromatogr., 1973, 79, 23-31, https://doi.org/10.1016/S0021-9673(01)85270-5
. [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]
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]
Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [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]
Tourres, 1967
Tourres, D.A.,
Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères,
J. Chromatogr., 1967, 30, 357-377, https://doi.org/10.1016/S0021-9673(00)84168-0
. [all data]
Evans, 1966
Evans, M.B.,
Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400,
J. Gas Chromatogr., 1966, 4, 1, 1-3, https://doi.org/10.1093/chromsci/4.1.1
. [all data]
Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G.,
Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs,
Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [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]
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]
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, 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]
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]
Wu and Lu, 1984
Wu, J.; Lu, W.,
Hydrocarbon analysis by open-tubular column chromatography with programmed temperature for straight run gasoline,
Anal. Chem., 1984, 12, 7, 572-578. [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, 2
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]
Dimov N., 1976
Dimov N.,
Quantitative gas chromatographic analysis and determination of solute properties. An exact equation for the calculation of the retention indices of isoalkanes on Squalane,
J. Chromatogr., 1976, 119, 109-118, https://doi.org/10.1016/S0021-9673(00)86775-8
. [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]
Mann, Mühlstädt, et al., 1967
Mann, G.; Mühlstädt, M.; Braband, J.; Döring, E.,
Konformation und physikalische daten von alkanen und cyclanen. II. Einfach und zweifach verzweigte alkane,
Tetrahedron, 1967, 23, 8, 3393-3401, https://doi.org/10.1016/S0040-4020(01)92305-1
. [all data]
Huguet, 1961
Huguet, M.,
Kovats retention indices in the qualitative analysis of light hydrocarbons by gas chromatography, Journees internationales d'etude des methodes de separation immediate et de chromatographie, 1961, 69. [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]
Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Du and Liang, 2003
Du, Y.; Liang, Y.,
Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit,
Comput. Biol. Chem., 2003, 27, 3, 339-353, https://doi.org/10.1016/S1476-9271(02)00081-6
. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Yin, Guo, et al., 2001
Yin, C.; Guo, W.; Lin, T.; Liu, S.; Fu, R.; Pan, Z.; Wang, L.,
Application of wavelet neural network to the prediction of gas chromatographic retention indices of alkanes,
J. Chinese Chem. Soc., 2001, 48, 739-749. [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]
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]
Zenkevich, 1999
Zenkevich, I.G.,
Dependence of Gas Chromatographic Retention Indices on Dynamics Molecular Characteristics,
Zh. Fiz. Khim., 1999, 73, 5, 905-910. [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]
Petrov, 1984
Petrov, A.A.,
Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [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]
Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L.,
Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30,
J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X
. [all data]
Notes
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- 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 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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