Pentane, 2,3,3-trimethyl-
- Formula: C8H18
- Molecular weight: 114.2285
- IUPAC Standard InChIKey: OKVWYBALHQFVFP-UHFFFAOYSA-N
- CAS Registry Number: 560-21-4
- 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. - Other names: 2,3,3-Trimethylpentane; C2H5C(CH3)2CH(CH3)2
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Kovats' RI, non-polar column, isothermal
Go To: Top, 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
Column type | Capillary | Packed | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | DB-1 | PONA |
Column length (m) | |||||
Carrier gas | H2 | H2 | |||
Substrate | |||||
Column diameter (mm) | |||||
Phase thickness (μm) | 0.25 | 0.5 | |||
Temperature (C) | 100. | 78.5 | 25. | 60. | 60. |
I | 761. | 764.8 | 754. | 761.4 | 761.3 |
Reference | Heinzen, Soares, et al., 1999 | Zhang and Lu, 1996 | Hilal, Carreira, et al., 1994 | Krupcik, Skacani, et al., 1994 | Krupcik, Skacani, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | DB-1 | OV-101 | OV-1 | Squalane |
Column length (m) | 50. | ||||
Carrier gas | H2 | H2 | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.22 | ||||
Phase thickness (μm) | 0.5 | 1. | 0.2 | ||
Temperature (C) | 60. | 60. | 60. | 60. | 50. |
I | 761.4 | 761.4 | 761.4 | 757. | 758.5 |
Reference | Krupcik, Skacani, et al., 1994 | Krupcik, Skacani, et al., 1994 | Krupcik, Skacani, et al., 1994 | Engewald, Maurer, et al., 1989 | Lunskii and Paizanskaya, 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|---|
Active phase | Squalane | DB-1 | DB-1 | Triacontane | Squalane |
Column length (m) | 50. | 60. | 60. | 3. | 3. |
Carrier gas | He | He | He | ||
Substrate | Chromosorb W AW (60-80 mesh) | Chromosorb W AW (60-80 mesh) | |||
Column diameter (mm) | 0.22 | 0.264 | 0.259 | ||
Phase thickness (μm) | 1. | ||||
Temperature (C) | 70. | 60. | 60. | 80. | 80. |
I | 762.75 | 756.9 | 757. | 765. | 765. |
Reference | Lunskii and Paizanskaya, 1988 | Lubeck and Sutton, 1983 | Lubeck and Sutton, 1983 | Castello and D'Amato, 1979 | Castello and D'Amato, 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | SF-96 | SF-96 |
Column length (m) | 100. | 100. | 4. | 4. | |
Carrier gas | N2 | N2 | |||
Substrate | Chromosorb P(DMCS) | Chromosorb P(DMCS) | |||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | |||||
Temperature (C) | 60. | 50. | 70. | 100. | 110. |
I | 761. | 759. | 763. | 764.53 | 767.27 |
Reference | Chretien and Dubois, 1976 | Rijks and Cramers, 1974 | Rijks and Cramers, 1974 | Castello, Berg, et al., 1973 | Castello, Berg, et al., 1973 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SF-96 | SF-96 | SF-96 | OV-101 | OV-101 |
Column length (m) | 4. | 4. | 4. | 25. | 25. |
Carrier gas | N2 | N2 | |||
Substrate | Chromosorb P(DMCS) | Chromosorb P(DMCS) | Chromosorb P(DMCS) | ||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 1.39 | 1.39 | |||
Temperature (C) | 120. | 80. | 90. | 50. | 60. |
I | 769.65 | 759.95 | 762.11 | 755. | 757. |
Reference | Castello, Berg, et al., 1973 | Castello, Berg, et al., 1973 | Castello, Berg, et al., 1973 | Pacáková, Hoch, et al., 1973 | Pacáková, Hoch, et al., 1973 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Vacuum Grease Oil (VM-4) | Vacuum Grease Oil (VM-4) | Vacuum Grease Oil (VM-4) | Vacuum Grease Oil (VM-4) | Vacuum Grease Oil (VM-4) |
Column length (m) | |||||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 35. | 45. | 50. | 58. | 68. |
I | 755. | 757. | 758. | 759. | 761. |
Reference | Sidorov, Petrova, et al., 1972 | Sidorov, Petrova, et al., 1972 | Sidorov, Petrova, et al., 1972 | Sidorov, Petrova, et al., 1972 | Sidorov, Petrova, et al., 1972 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Packed | Packed | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | SE-30 | Squalane | Squalane | Squalane |
Column length (m) | 100. | 91.4 | |||
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | |||||
Temperature (C) | 70. | 80. | 25. | 80. | 40. |
I | 759.6 | 762. | 755. | 765. | 757. |
Reference | Dimov and Schopov, 1971 | Mitra and Saha, 1970 | Mitra and Saha, 1970 | Mitra and Saha, 1970 | Matukuma, 1969 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | Squalane | Squalane |
Column length (m) | 15. | 15. | 15. | 15. | 10. |
Carrier gas | He | He | He | He | H2 |
Substrate | Chromosorb P | Chromosorb P | Chromosorb P | Chromosorb P | |
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | |||||
Temperature (C) | 27. | 49. | 67. | 86. | 30. |
I | 754. | 760. | 763. | 767. | 756. |
Reference | Hively and Hinton, 1968 | Hively and Hinton, 1968 | Hively and Hinton, 1968 | Hively and Hinton, 1968 | Tourres, 1967 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | Squalane | Squalane |
Column length (m) | 10. | 100. | 100. | 100. | 1.8 |
Carrier gas | H2 | H2 | H2 | H2 | |
Substrate | Untreated celite | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | |||||
Temperature (C) | 50. | 30. | 50. | 70. | 40. |
I | 760. | 756. | 760. | 764. | 757. |
Reference | Tourres, 1967 | Tourres, 1967, 2 | Tourres, 1967, 2 | Tourres, 1967, 2 | Evans, 1966 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed |
---|---|---|
Active phase | Squalane | Squalane |
Column length (m) | 1.8 | 1.8 |
Carrier gas | ||
Substrate | Untreated celite | Untreated celite |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Temperature (C) | 55. | 70. |
I | 761. | 764. |
Reference | Evans, 1966 | Evans, 1966 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Engewald, Maurer, et al., 1989
Engewald, W.; Maurer, T.; Schiefke, A.,
Investigation of isomeric hydrocarbons by gas-solid chromatography on graphitized thermal carbon black,
Pure Appl. Chem., 1989, 61, 11, 2001-2004, https://doi.org/10.1351/pac198961112001
. [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]
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]
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]
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]
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]
Pacáková, Hoch, et al., 1973
Pacáková, V.; Hoch, K.; Smolková, E.,
The Effect of Instrumentation on the Precision of Retention Indexes,
Chromatographia, 1973, 6, 7, 320-324, https://doi.org/10.1007/BF02269334
. [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.,
Structural analysis of industrial butene dimers by gas chromatography,
J. Gas Chromatogr., 1967, 5, 1, 35-40, https://doi.org/10.1093/chromsci/5.1.35
. [all data]
Tourres, 1967, 2
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]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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