Cyclohexane, 1,1-dimethyl-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: QEGNUYASOUJEHD-UHFFFAOYSA-N
- CAS Registry Number: 590-66-9
- 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: Gem-Dimethylcyclohexane; 1,1-Dimethylcyclohexane
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Gas phase thermochemistry data
Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas | 364.93 | J/mol*K | N/A | Huffman H.M., 1949 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.15 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. There is an appreciable difference, mainly at high temperatures, with values estimated earlier by a method of increments [ Beckett C.W., 1947]. |
58.09 | 100. | ||
81.65 | 150. | ||
105.5 | 200. | ||
144.3 | 273.15 | ||
158.5 | 298.15 | ||
159.6 | 300. | ||
216.0 | 400. | ||
266.0 | 500. | ||
307.8 | 600. | ||
342.7 | 700. | ||
372.0 | 800. | ||
397.0 | 900. | ||
418.4 | 1000. | ||
436.6 | 1100. | ||
452.3 | 1200. | ||
465.7 | 1300. | ||
477.3 | 1400. | ||
487.3 | 1500. | ||
506.8 | 1750. | ||
520.7 | 2000. | ||
530.9 | 2250. | ||
538.5 | 2500. | ||
544.2 | 2750. | ||
548.7 | 3000. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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 | CP Sil 2 | 60. | 789.8 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | Squalane | 25. | 780. | Hilal, Carreira, et al., 1994 | |
Packed | OV-101 | 120. | 795. | Litvinenko, Isakova, et al., 1988 | He, Chromaton W AW; Column length: 2.4 m |
Packed | Squalane | 50. | 786.4 | Litvinenko, Isakova, et al., 1988 | |
Capillary | Squalane | 50. | 786.9 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 792. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 40. | 779.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 782.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 785.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 788.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | Squalane | 50. | 787.1 | Krupcik, Cellar, et al., 1986 | Column length: 180. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 60. | 786.1 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 786.5 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 783. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 783. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 782. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | Squalane | 86. | 797.6 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 797.7 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 791.3 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 70. | 792.7 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 50. | 787. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 793. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 784. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 788. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 789. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 792. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 796. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 786. | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Vacuum Grease Oil (VM-4) | 35. | 784. | Sidorov, Ivanova, et al., 1971 | |
Packed | SE-30 | 80. | 784. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 70. | 792. | Schomburg, 1966 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 778. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 780.3 | 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 | 783. | 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 | 784.2 | 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 | 778.31 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | OV-101 | 782.5 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | Petrocol DH | 779.57 | 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 | 780. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | OV-101 | 778. | 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 | Methyl Silicone | 791.12 | 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 | Methyl Silicone | 50. | 787. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 100. | 797. | Krupcik, Cellar, et al., 1986, 2 | Column length: 180. m; Column diameter: 0.25 mm |
Capillary | Squalane | 40. | 784. | Krupcik, Cellar, et al., 1986, 2 | Column length: 180. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 792. | Krupcik, Cellar, et al., 1986, 2 | Column length: 180. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 782. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 788. | Wu and Lu, 1984 | |
Capillary | Squalane | 86. | 791. | 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 | 782. | 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 | 780. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 783. | 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 |
Capillary | SE-54 | 785. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | Squalane | 786.6 | Krupcik, Cellar, et al., 1986 | 0.1 K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 788.6 | Krupcik, Cellar, et al., 1986 | 0.2 K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 791.7 | Krupcik, Cellar, et al., 1986 | 0.4 K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 794.1 | Krupcik, Cellar, et al., 1986 | 0.6 K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 796.1 | Krupcik, Cellar, et al., 1986 | 0.8 K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 797.9 | Krupcik, Cellar, et al., 1986 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 786. | Krupcik, Cellar, et al., 1986, 2 | 0.1 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Capillary | Squalane | 787. | Krupcik, Cellar, et al., 1986, 2 | 0.2 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Capillary | Squalane | 789. | Krupcik, Cellar, et al., 1986, 2 | 0.4 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Capillary | Squalane | 791. | Krupcik, Cellar, et al., 1986, 2 | 0.6 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Capillary | Squalane | 793. | Krupcik, Cellar, et al., 1986, 2 | 0.8 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Capillary | Squalane | 794. | Krupcik, Cellar, et al., 1986, 2 | 1.0 K/min; Column length: 180. m; Column diameter: 0.25 mm; Tstart: 40. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 792. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 784. | Chen, 2008 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Huffman H.M., 1949
Huffman H.M.,
Low-temperature thermal data on eight C8H16 alkylcyclohexanes,
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Thermodynamics Research Center, 1997
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Beckett C.W., 1947
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The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes,
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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,
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Hilal, Carreira, et al., 1994
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Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
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Quantitative correlation between structure of stereoisomeric saturated cyclic compounds and gas-chromatographic retention indices. I. Methysubstituted,
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Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
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Unified retention index of hydrocarbons separated on dimethylsilicone OV-101,
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Use of Kováts retention indices for characterization of solutes in linear temperature-programmed capillary gas-liquid chromatography,
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Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
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The use of retention indices for identifying the components of crude benzene,
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High precision capillary gas chromatography of hydrocarbons,
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Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
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Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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