Cyclohexane, propyl-
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChIKey: DEDZSLCZHWTGOR-UHFFFAOYSA-N
- CAS Registry Number: 1678-92-8
- 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: Propylcyclohexane; n-Propylcyclohexane; Cyclohexane, n-propyl-
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Phase change data
Go To: Top, 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 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 429. ± 3. | K | AVG | N/A | Average of 24 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 178.09 | K | N/A | Boord, Greenlee, et al., 1946 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 178.19 | K | N/A | Forziati, Glasgow, et al., 1946 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 178.06 | K | N/A | Anonymous, 1941 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.25 | K | N/A | Finke, Messerly, et al., 1965 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.7 ± 0.3 | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.97 | 361. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 346. to 431. K. See also Stull, 1947 and Forziati, Norris, et al., 1949.; 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 |
---|---|---|---|---|
345.84 to 430.89 | 4.00785 | 1461.715 | -65.16 | Forziati, Norris, et al., 1949, 2 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.1243 | 178.25 | Finke, Messerly, et al., 1965 | DH |
2.53 | 178. | Mandanici, Cutroni, et al., 2006 | AC |
2.478 | 178.3 | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.91 | 178.25 | Finke, Messerly, et al., 1965 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.46 | EQ | Sieck and Mautner(Meot-Ner), 1982 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 110. | 938. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Capillary | DB-1 | 140. | 951. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He |
Capillary | DB-1 | 60. | 926. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He |
Capillary | OV-101 | 150. | 952.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 962.1 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 936. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-1 | 100. | 936.4 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Capillary | SE-30 | 130. | 947. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 931. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Packed | Squalane | 100. | 937. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 100. | 940. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 110. | 934. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 120. | 938. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 130. | 942. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 140. | 945. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | SE-30 | 130. | 943. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 140. | 946. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 150. | 948. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 160. | 950. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 170. | 952. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | Squalane | 120. | 944. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 932. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 925. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 928. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 930. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 933. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 937. | Sidorov, Petrova, et al., 1972 | |
Packed | Vacuum Grease Oil (VM-4) | 35. | 925. | Sidorov, Ivanova, et al., 1971 | |
Packed | SE-30 | 130. | 944. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 70. | 931. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 944. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 925. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 926. | 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 | 923. | 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 | 931. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 935. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 923. | 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 | 950. | 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 | DB-1 | 928. | 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. | 1019. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 998. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 70. | 1003. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 1008. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 100. | 1019. | 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 | 938. | 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 | 934. | 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 | HP-5 | 941. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | Petrocol DH | 930.5 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 927.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 926.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 924.2 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 927.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 929.1 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 936.4 | 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 | 926.4 | 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 | DB-1 | 916. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 30. C; Tend: 225. C |
Capillary | DB-5 | 924.2 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 927.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 929.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 927.1 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 926.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | Ultra-1 | 925.22 | Steward and Pitzer, 1988 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: 0. C; Tend: 240. C |
Capillary | Ultra-1 | 920.09 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 923.67 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 925.93 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 925.46 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 929.15 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 931.59 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 923. | 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 8 CB | 933. | Oruna-Concha, Bakker, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Capillary | Methyl Silicone | 950.33 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 70. | 927. | Wu and Lu, 1984 | |
Packed | Polydimethyl siloxane | 110. | 936. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | MDN-5 | 935. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5MS | 930. | Shoenmakers, Oomen, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C |
Capillary | OV-101 | 944. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | DB-5 | 938. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-5 | 939. | Macku and Shibamoto, 1991, 2 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | SP-2100 | 922. | Alencar, Alves, et al., 1983 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C |
Packed | Apiezon L | 915. | Dahlmann, Köser, et al., 1979 | Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 931. | Chen, 2008 | Program: not specified |
Capillary | HP-5 | 937. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 937. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | Methyl Silicone | 933. | Zenkevich, 2000 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 921. | 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. | 923. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 982. | Galindo-Cuspinera, Lubran, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]
Forziati, Glasgow, et al., 1946
Forziati, A.F.; Glasgow, A.R.; Willingham, C.B.; Rossini, F.D.,
Specification adn Properties of 29 Paraffin, 4 Alkylcyclopentanes, 10 Alkylcyclohexanes and 8 Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U. S.), 1946, 36, 129. [all data]
Anonymous, 1941
Anonymous, R.,
, Am. Pet. Inst. Hydrocarbon Res. Proj., Third Annu. Rep., Ohio State Univ., Aug. 31, 1941. [all data]
Finke, Messerly, et al., 1965
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370 K,
J. Phys. Chem., 1965, 69, 2094-2100. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
Mandanici, Cutroni, et al., 2006
Mandanici, Andrea; Cutroni, Maria; Triolo, Alessandro; Rodriguez-Mora, Virginia; Ramos, Miguel A.,
Thermodynamic study of alkyl-cyclohexanes in liquid, glassy, and crystalline states,
J. Chem. Phys., 2006, 125, 5, 054514, https://doi.org/10.1063/1.2238863
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Sieck and Mautner(Meot-Ner), 1982
Sieck, L.W.; Mautner(Meot-Ner), M.,
Ionization energies and entropies of cycloalkanes. Kinetics of free energy controlled charge-transfer reactions,
J. Phys. Chem., 1982, 86, 3646. [all data]
Zhuravleva, 2000
Zhuravleva, I.L.,
Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682
. [all data]
Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J.,
Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise,
J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9
. [all data]
Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]
Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864
. [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]
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]
Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V.,
Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure,
Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060
. [all data]
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]
Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A.,
Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography,
J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4
. [all data]
Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A.,
Gas chromatographic analysis of complex hydrocarbon mixtures,
J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0
. [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]
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]
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]
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]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [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]
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]
Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J.,
Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds,
Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003
. [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]
Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B.,
Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils
in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [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]
Lai and Song, 1995
Lai, W.-C.; Song, C.,
Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels,
Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H
. [all data]
Steward and Pitzer, 1988
Steward, E.M.; Pitzer, E.W.,
Gas Chromatographic Analyses of Complex Hydrocarbon Mixtures Void of n-Paraffin Retention Index Markers Using Joint Mass Spectral and Retention Index Libraries,
J. Chromatogr. Sci., 1988, 26, 5, 218-222, https://doi.org/10.1093/chromsci/26.5.218
. [all data]
Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W.,
Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504
. [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]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Hassoun, Pilling, et al., 1999
Hassoun, S.; Pilling, M.J.; Bartle, K.D.,
A catalogue of urban hydrocarbons for the city of Leeds: atmospheric monitoring of volatile organic compounds by thermal desorption-gas chromatography,
J. Environ. Monitor., 1999, 1, 5, 453-458, https://doi.org/10.1039/a904879k
. [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]
Ferrand, 1962
Ferrand, R.,
Gas phase chromatography using retention indices for the analysis of tars and their hydrogenation products,
Journees internationales d'etude des methodes de separation immediate at de chromatographie; Org. sur l'initiative du IX., 1962, 132-140. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [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]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Macku and Shibamoto, 1991, 2
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021
. [all data]
Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A.,
Pyrolysis of tropical vegetable oils,
J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031
. [all data]
Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943
. [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]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Zenkevich, 2000
Zenkevich, I.G.,
Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics,
Z. Anal. Chem., 2000, 55, 10, 1091-1097. [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]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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