Cyclopentane, 1,1-dimethyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3
- IUPAC Standard InChIKey: QWHNJUXXYKPLQM-UHFFFAOYSA-N
- CAS Registry Number: 1638-26-2
- 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-Dimethylcyclopentane; 1,1-Dimethylcyclopentane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
2 +
=
By formula: 2H2 + C7H10 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -97.0 ± 0.2 | kcal/mol | Chyd | Roth, Klarner, et al., 1980 | liquid phase; solvent: Cyclohexane |
2 +
=
By formula: 2H2 + C7H10 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -53.8 ± 0.1 | kcal/mol | Chyd | Roth, Klarner, et al., 1980 | liquid phase; solvent: Cyclohexane |
+
=
By formula: H2 + C7H12 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -55.0 ± 0.1 | kcal/mol | Chyd | Roth, Klarner, et al., 1980 | liquid phase; solvent: Cyclohexane |
2 +
=
By formula: 2H2 + C7H10 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -102.0 ± 0.3 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.46 ± 0.05 | EI | Holmes and Lossing, 1991 |
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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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 | 935 |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 | 0. | 665. | Skrbic, 1997 | |
| Capillary | CP Sil 2 | 60. | 675.5 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
| Capillary | Squalane | 25. | 669. | Hilal, Carreira, et al., 1994 | |
| Capillary | DB-1 | 60. | 675.9 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
| Capillary | PONA | 60. | 676.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
| Capillary | PONA | 60. | 676.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
| Capillary | DB-1 | 60. | 676.1 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
| Capillary | OV-101 | 60. | 675.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
| Capillary | OV-1 | 45. | 673.3 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
| Capillary | OV-1 | 65. | 677.4 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
| Capillary | OV-101 | 40. | 671. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 60. | 675. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 80. | 679. | Laub and Purnell, 1988 | |
| Capillary | Squalane | 50. | 672.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Squalane | 70. | 676.5 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Nonpolar | 55. | 675. | Stoyanov and Dimov, 1987 | |
| Capillary | Nonpolar | 60. | 676. | Stoyanov and Dimov, 1987 | |
| Capillary | Nonpolar | 65. | 677. | Stoyanov and Dimov, 1987 | |
| Capillary | OV-101 | 40. | 671.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 50. | 673.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 60. | 675.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 70. | 676.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 30. | 669. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 40. | 671. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 50. | 673. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 60. | 675. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 70. | 677. | Chien, Furio, et al., 1983 | |
| Capillary | OV-101 | 80. | 679. | Chien, Furio, et al., 1983 | |
| Capillary | DB-1 | 60. | 675.9 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
| Capillary | DB-1 | 60. | 676.1 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
| Capillary | OV-101 | 50. | 674. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
| Capillary | OV-101 | 50. | 674. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
| Capillary | SF-96 | 50. | 674. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
| Capillary | Squalane | 100. | 673.2 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 673.2 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 684. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 675. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 679. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 674. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 677. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Vacuum Grease Oil (VM-4) | 35. | 672. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 45. | 674. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 50. | 675. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 58. | 677. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 68. | 680. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Squalane | 70. | 674. | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
| Packed | Vacuum Grease Oil (VM-4) | 35. | 672. | Sidorov, Ivanova, et al., 1971 | |
| Packed | SE-30 | 130. | 683. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
| Packed | Squalane | 27. | 669. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 674. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 677. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 681. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 677. | Schomburg, 1966 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Apiezon L | 679. | 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 | 671.1 | 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) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 669.7 | 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 | 662.30 | 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 | 663.04 | 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 | 668.5 | 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 | 665.52 | 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 | 665.59 | 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 | 665.48 | 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 | 665.63 | 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 | 666. | 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 | OV-101 | 40. | 672. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 50. | 673. | Wu and Lu, 1984 | |
| Capillary | OV-101 | 70. | 677. | Wu and Lu, 1984 | |
| Capillary | Squalane | 86. | 671. | 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 | 672. | 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 | 666. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | PONA | 670. | 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 | OV-101 | 673. | 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 | SE-54 | 669. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 669. | Chen, 2008 | Program: not specified |
| Capillary | Squalane | 683. | Chen, 2008 | Program: not specified |
| Capillary | Methyl Silicone | 673. | Zenkevich and Marinichev, 2001 | Program: not specified |
| Capillary | OV-101 | 665. | Skrbic and Cvejanov, 1993 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 675. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Roth, Klarner, et al., 1980
Roth, W.R.; Klarner, F.-G.; Lennartz, H.-W.,
Heats of hydrogenation. II. Heat of hydrogenation of bicyclo[2.1.0]pent-2-ene, an antiaromatic system,
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Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
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Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Skrbic, 1997
Skrbic, B.D.,
Unified retention concept -- statistical treatment of Kováts retention index,
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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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Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
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Dependence of gas chromatographic retention data of hydrocarbons on the film thickness of the polydimethylsiloxane stationary phase,
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Guan, Kiraly, et al., 1989
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Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography,
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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,
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Unified retention index of hydrocarbons separated on dimethylsilicone OV-101,
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Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents,
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Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
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Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N.,
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Dielmann, G.; Schwengers, D.; Schomburg, G.,
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Rijks, J.A.; Cramers, C.A.,
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Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101,
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Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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