Cyclopentane, 1,2-dimethyl-, trans-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: RIRARCHMRDHZAR-BQBZGAKWSA-N
- CAS Registry Number: 822-50-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: trans-1,2-Dimethylcyclopentane; 1,trans-2-Dimethylcyclopentane; 1,2-Dimethylcyclopentane, trans; t-1,2-Dimethylcyclopentane; (E)-1,2-Dimethylcyclopentane; Cyclopentane, 1,2-dimethyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -32.67 ± 0.30 | kcal/mol | Cm | Johnson, Prosen, et al., 1949 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.64 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in close agreement with those calculated by a method of increments [ Epstein M.B., 1949] at low temperatures. Discrepancies increase up to 2-4 J/mol*K at T=1500 K.; GT |
14.68 | 100. | ||
18.38 | 150. | ||
22.25 | 200. | ||
29.37 | 273.15 | ||
32.15 | 298.15 | ||
32.36 | 300. | ||
43.67 | 400. | ||
53.87 | 500. | ||
62.40 | 600. | ||
69.53 | 700. | ||
75.53 | 800. | ||
80.64 | 900. | ||
84.99 | 1000. | ||
88.74 | 1100. | ||
91.97 | 1200. | ||
94.77 | 1300. | ||
97.16 | 1400. | ||
99.26 | 1500. | ||
103.4 | 1750. | ||
106.4 | 2000. | ||
108.6 | 2250. | ||
110.2 | 2500. | ||
111.5 | 2750. | ||
112.5 | 3000. |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 365.0 ± 0.1 | K | AVG | N/A | Average of 14 out of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 155. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 154.1 | K | N/A | Huffman, Parks, et al., 1931 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 154.2 | K | N/A | Parks and Huffman, 1931 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.27 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 8.27 | kcal/mol | N/A | Johnson, Prosen, et al., 1949 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.17 | 310. | A | Stephenson and Malanowski, 1987 | Based on data from 295. to 367. K.; AC |
8.13 | 314. | N/A | Forziati, Norris, et al., 1949 | Based on data from 299. to 366. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
299.26 to 365.92 | 3.95488 | 1237.866 | -52.023 | Forziati, Norris, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View scan of original (hardcopy) spectrum.
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 10328 |
Date | 1963/11/14 |
Name(s) | 1,2-dimethylcyclopentane |
State | SOLUTION (10% IN CCl4 FOR 3800-1333, 10% IN CS2 FOR 1333-400 CM-1) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON, CHANGED AT 5.0, 7.5, 14.9 MICRON |
Path length | 0.010, 0.010 CM SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550 CM-1 SPECTRAL CONTAMINATION DUE TO CS2 AROUND 860 CM-1 HAS BEEN REMOVED |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | 937 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 685.6 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 689.1 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | CP Sil 2 | 60. | 694.1 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | Squalane | 25. | 685. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 690.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 691.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 691.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 691.2 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 690.7 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | OV-101 | 40. | 686. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 690. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 693. | Laub and Purnell, 1988 | |
Capillary | Nonpolar | 55. | 690. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 691. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 65. | 692. | Stoyanov and Dimov, 1987 | |
Capillary | OV-101 | 40. | 687.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 688.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 690.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 692.2 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 685. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 686. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 688. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 690. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 691. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 693. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 690.9 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 691.2 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 689. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 689. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 690. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | Squalane | 50. | 688. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 689. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 86. | 696.6 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 100. | 692. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 691.6 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 691.6 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 697. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 691. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 695. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 689. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 692. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 689. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 691. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 692. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 694. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 696. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 689.8 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Vacuum Grease Oil (VM-4) | 35. | 689. | Sidorov, Ivanova, et al., 1971 | |
Capillary | Squalane | 70. | 692. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 692. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 692. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 130. | 702. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 27. | 686. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 690. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 693. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 696. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 693. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 702. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Apiezon L | 700. | 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 | 687. | 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 | 687. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 686.6 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | SPB-1 | 681.78 | 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 | 682.48 | 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 | 690.9 | 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 | 686.0 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | Petrocol DH | 684.12 | 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 | 684.18 | 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 | 683.95 | 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 | 684.01 | 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 | 684. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 689. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 689. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 692. | Wu and Lu, 1984 | |
Capillary | Squalane | 86. | 693. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 687. | 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 | 685. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 687. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 702. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 689. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 689. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | Methyl Silicone | 686. | Spieksma, 1999 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 690. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Johnson, Prosen, et al., 1949
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of the six C7H14 alkylcyclopentanes,
J. Res. NBS, 1949, 42, 251-255. [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]
Epstein M.B., 1949
Epstein M.B.,
Heats, equilibrium constants, and free energies of formation of the dimethylcyclopentanes,
J. Res. Nat. Bur. Stand., 1949, 43, 245-250. [all data]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal Data on Organic Compounds X. Further Studies on the Heat Capacities, Entropies, and Free Energies of Hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-88. [all data]
Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M.,
Some fusion and transition data for hydrocarbons,
Ind. Eng. Chem., 1931, 23, 1138-9. [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]
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]
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]
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]
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]
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]
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]
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]
Mitra, 1981
Mitra, G.D.,
Conversion of linear retention indices into logarithmic retention indices,
J. Chromatogr., 1981, 211, 2, 239-242, https://doi.org/10.1016/S0021-9673(00)88039-5
. [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]
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]
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]
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]
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, 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]
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]
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]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0
. [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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.