Cyclopentane, 1,3-dimethyl-, cis-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: XAZKFISIRYLAEE-KNVOCYPGSA-N
- CAS Registry Number: 2532-58-3
- 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. - Stereoisomers:
- Other names: cis-1,3-Dimethylcyclopentane; 1,3-Dimethylcyclopentane cis; 1-cis-3-Dimethylcyclopentane; c-1,3-Dimethylcyclopentane
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -133.6 ± 1.5 | kJ/mol | Cm | Johnson, Prosen, et al., 1949 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.48 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values of S(T) are in good agreement with those calculated by a method of increments [ Scott D.W., 1960, Epstein M.B., 1949]; discrepancies between Cp(T) amount to 1-2 J/mol*K.; GT |
57.03 | 100. | ||
73.29 | 150. | ||
91.08 | 200. | ||
122.6 | 273.15 | ||
134.5 | 298.15 | ||
135.4 | 300. | ||
183.3 | 400. | ||
225.9 | 500. | ||
261.4 | 600. | ||
291.0 | 700. | ||
316.0 | 800. | ||
337.3 | 900. | ||
355.5 | 1000. | ||
371.1 | 1100. | ||
384.6 | 1200. | ||
396.3 | 1300. | ||
406.4 | 1400. | ||
415.1 | 1500. | ||
432.4 | 1750. | ||
444.9 | 2000. | ||
454.1 | 2250. | ||
461.0 | 2500. | ||
466.4 | 2750. | ||
470.6 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
161.69 ± 0.32 | 352.20 | McCullough J.P., 1959 | GT |
172.23 ± 0.34 | 375.20 | ||
190.57 ± 0.38 | 415.20 | ||
207.77 ± 0.42 | 455.20 | ||
226.12 ± 0.45 | 500.20 |
IR Spectrum
Go To: Top, Gas phase thermochemistry 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
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
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 |
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 | OV-101 | 40. | 680.4 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 683.9 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 0. | 675. | Skrbic, 1997 | |
Capillary | CP Sil 2 | 60. | 687.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | DB-1 | 60. | 685.5 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 685.6 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 685.6 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 685.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 685.3 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | OV-1 | 45. | 683.3 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 687.5 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 682.7 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 686. | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | OV-101 | 40. | 681. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 684. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 688. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 681.9 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 685.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Nonpolar | 55. | 684. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 60. | 685. | Stoyanov and Dimov, 1987 | |
Capillary | Nonpolar | 65. | 685. | Stoyanov and Dimov, 1987 | |
Capillary | OV-101 | 40. | 681.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 683.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 685.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 686.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 680. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 681. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 682. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 684. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 686. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 688. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 685.5 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 685.8 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-1 | 50. | 684. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | OV-101 | 50. | 684. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 684. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 683. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | Squalane | 50. | 682.9 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 679. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 686. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 686. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 692. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 684. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 688. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 683. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 686. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 681. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 683. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 684. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 686. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 688. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 683.5 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Vacuum Grease Oil (VM-4) | 35. | 681. | Sidorov, Ivanova, et al., 1971 | |
Packed | SE-30 | 130. | 694. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 27. | 679. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 683. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 686. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 689. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 686. | Schomburg, 1966 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Apiezon L | 689. | 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 | 681.5 | 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 | 682. | 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 | 680.8 | 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 | 674.96 | 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 | 675.65 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | DB-5 | 687.9 | 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 | 679.9 | 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 | 677.60 | 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 | 677.66 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 681. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 677.5 | 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 | 677.64 | 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 | 678. | White, Hackett, et al., 1992 | 100. 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 677.48 | 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. | 683. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 683. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 687. | Wu and Lu, 1984 | |
Capillary | Squalane | 86. | 683. | 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 | 684. | 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 | 682. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 681. | 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 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 683. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 684. | Blunden, Aneja, et al., 2005 | 60. 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) |
Capillary | Methyl Silicone | 684. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | Methyl Silicone | 681. | Spieksma, 1999 | Program: not specified |
Capillary | DB-1 | 679. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SE-52 | 686. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 684. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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.
Johnson, Prosen, et al., 1949
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of the six C7H14 alkylcyclopentanes,
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Thermodynamics Research Center, 1997
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Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Scott D.W., 1960
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Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane,
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Epstein M.B., 1949
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Heats, equilibrium constants, and free energies of formation of the dimethylcyclopentanes,
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McCullough J.P., 1959
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Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation,
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Prediction of GC retention values under various column temperature conditions from temperature programmed data,
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Unified retention concept -- statistical treatment of Kováts retention index,
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The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
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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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Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography,
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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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Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
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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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Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Anders, Scheller, et al., 1982
Anders, G.; Scheller, M.; Schuhler, C.; Struppe, H.G.,
Zur Vorausberechnung von Bruttoretentioszeiten bei temperaturprogramierter Gaschromatographie mit Hilfe isotherm bestimmter Retentionsindices und einer Anpassung an experimentelle Retentionszeiten,
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Johansen and Ettre, 1982
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Variation of the retention index with temperature on squalane substrates,
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Schomburg, 1966
Schomburg, G.,
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Louis, R.,
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Notes
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