Butane, 2,2-dimethyl-

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Henry's Law data

Go To: Top, Gas phase ion energetics 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00065 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00059 LN/A 
0.00051 VN/A 

Gas phase ion energetics data

Go To: Top, Henry's Law 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.07ESTLuo and Pacey, 1992LL
9.79EQLias, Ausloos, et al., 1976LLK
10.06PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H8+10.23 ± 0.015C2H6PISteiner, Giese, et al., 1961RDSH
C4H9+10.60 ± 0.025C2H5PISteiner, Giese, et al., 1961RDSH
C5H10+10.28 ± 0.02CH4PISteiner, Giese, et al., 1961RDSH
C5H11+10.555 ± 0.045CH3PISteiner, Giese, et al., 1961RDSH

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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IR 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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Henry's Law data, Gas phase ion energetics 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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1294
NIST MS number 227826

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Henry's Law data, Gas phase ion energetics 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.535.6Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.537.4Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
PackedC78, Branched paraffin130.540.8Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySqualane100.538.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.533.Skrbic, 1997 
CapillaryOV-1010.534.Skrbic, 1997 
PackedSqualane78.5539.0Zhang and Lu, 1996 
CapillaryCP Sil 260.535.3Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryOV-101150.543.8Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.547.9Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.535.Hilal, Carreira, et al., 1994 
CapillaryDB-160.538.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.538.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.538.2Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.537.9Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.537.9Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
PackedC78, Branched paraffin130.540.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillaryBP-10.534.Skrbic and Cvejanov, 199215. m/0.53 mm/1.0 μm, N2
PackedApolane130.541.Dutoit, 1991Column length: 3.7 m
CapillaryHP-160.538.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.538.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.535.Laub and Purnell, 1988 
CapillaryOV-10160.536.Laub and Purnell, 1988 
CapillaryOV-10180.538.Laub and Purnell, 1988 
CapillarySqualane50.535.5Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.538.9Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane50.537.1Papazova, Milina, et al., 1988Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10140.535.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.536.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.537.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.537.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10130.534.Chien, Furio, et al., 1983 
CapillaryOV-10140.535.Chien, Furio, et al., 1983 
CapillaryOV-10150.535.Chien, Furio, et al., 1983 
CapillaryOV-10160.536.Chien, Furio, et al., 1983 
CapillaryOV-10170.537.Chien, Furio, et al., 1983 
CapillaryOV-10180.538.Chien, Furio, et al., 1983 
CapillaryOV-330.533.9Chien, Furio, et al., 1983, 2 
CapillaryOV-340.534.6Chien, Furio, et al., 1983, 2 
CapillaryOV-350.535.4Chien, Furio, et al., 1983, 2 
CapillaryOV-360.536.2Chien, Furio, et al., 1983, 2 
CapillaryOV-370.537.0Chien, Furio, et al., 1983, 2 
CapillaryOV-380.537.9Chien, Furio, et al., 1983, 2 
CapillaryDB-160.538.Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.537.9Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-10150.536.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.537.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillaryOV-150.536.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 μm
CapillarySE-3050.540.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 μm
CapillarySF-9650.536.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillaryOV-130.533.Chien, Kopecni, et al., 1981H2
CapillaryOV-140.534.5Chien, Kopecni, et al., 1981H2
CapillaryOV-150.536.Chien, Kopecni, et al., 1981H2
CapillaryOV-160.537.7Chien, Kopecni, et al., 1981H2
CapillaryOV-170.539.4Chien, Kopecni, et al., 1981H2
CapillaryOV-180.541.3Chien, Kopecni, et al., 1981H2
CapillarySE-3030.542.2Chien, Kopecni, et al., 1981H2
CapillarySE-3040.541.4Chien, Kopecni, et al., 1981H2
CapillarySE-3050.539.6Chien, Kopecni, et al., 1981H2
CapillarySE-3060.538.Chien, Kopecni, et al., 1981H2
CapillarySE-3070.536.1Chien, Kopecni, et al., 1981H2
CapillarySE-3080.534.6Chien, Kopecni, et al., 1981H2
CapillaryOV-140.530.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.536.8Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane70.537.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.538.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.538.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.540.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.539.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
PackedSE-3080.538.6Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane86.541.7Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane50.536.90Pacáková and Koslík, 197850. m/0.2 mm/0.5 μm, N2
CapillarySqualane60.538.Chretien and Dubois, 1976 
PackedApolane70.535.1Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane50.537.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.538.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.544.75Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.545.8Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.547.42Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.542.16Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.543.36Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryOV-10150.537.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.538.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillarySqualane27.534.99Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillaryVacuum Grease Oil (VM-4)35.530.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.532.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.533.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.534.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.536.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.537.Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.540.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.541.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
CapillarySqualane70.538.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.538.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.538.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3080.530.Mitra and Saha, 1970N2
PackedSqualane25.535.Mitra and Saha, 1970N2
PackedSqualane80.539.Mitra and Saha, 1970N2
CapillarySqualane40.541.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.535.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.537.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.539.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.540.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane30.535.Tourres, 1967H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.537.Tourres, 1967H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.538.Tourres, 1967H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane100.541.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.534.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.535.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.536.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.538.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.537.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.539.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.539.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.530.Zulaïca and Guiochon, 1966Column length: 10. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryApiezon L529.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100540.25Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1537.Hoekman, 199360. 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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH526.0Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-5526.3Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101528.5Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH526.78Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH526.81Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1531.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH528.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedSE-30528.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
CapillaryOV-101528.Wu and Lu, 1984Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.536.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.537.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.536.Wu and Lu, 1984, 2 
CapillaryOV-10170.538.Wu and Lu, 1984, 2 
CapillarySqualane100.541.Dimov N., 1976 
CapillarySqualane70.538.Dimov N., 1976 
CapillarySqualane86.528.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. to 190.535.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.536.Huguet, 1961Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB533.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH538.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryHP-5 MS537.Zenkevich, Makarov A.A., et al., 200930. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; Tstart: 50. C
CapillaryPONA526.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryBP-1532.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101536.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryDB-1528.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillarySF-96529.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone540.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone537.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone535.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryOV-101538.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane538.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPONA540.Perkin Elmer Instruments, 2002Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
CapillaryPolydimethyl siloxanes528.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone537.Spieksma, 1999Program: not specified
CapillaryDB-1525.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1525.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillaryOV-101533.Skrbic and Cvejanov, 1993Program: not specified
CapillarySqualane530.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.536.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30542.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane537.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30542.Robinson and Odell, 1971, 2Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
PackedSqualane537.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax500.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Henry's Law data, Gas phase ion energetics 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.

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [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]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [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
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Notes

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