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3-Isopropylcyclopentene

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Phase change 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Tboil394.4KN/ABoord, Henne, et al., 1949Uncertainty assigned by TRC = 0.4 K
Tboil394.KN/AMurphy and Duggan, 1949Uncertainty assigned by TRC = 3. K
Tboil394.4KN/ACrane, Boord, et al., 1945Uncertainty assigned by TRC = 1. K
Tboil400.8KN/AChiurdoglu, 1931Uncertainty assigned by TRC = 1.5 K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Phase change 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.81 ± 0.02PERang, Paldoia, et al., 1974LLK
8.85 ± 0.05PEMcAlduff, Caramella, et al., 1978Vertical value; LLK

Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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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 B. Derendyaev, Novosibirsk Institute of Organic Chemistry
NIST MS number 139462

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Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane60.795.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane80.800.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane100.803.Rang, Orav, et al., 1977Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
CapillaryApiezon L100.825.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillaryApiezon L120.834.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane30.789.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.794.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.800.0Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane30.790.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.795.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.800.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.928.Rang, Orav, et al., 1988 
CapillaryPEG 400060.913.Rang, Orav, et al., 1988 
CapillaryPEG 400080.921.Rang, Orav, et al., 1988 
CapillaryPEG 4000100.928.Rang, Orav, et al., 1977Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 4000100.928.3Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.913.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400080.921.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.928.3Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.913.1Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400080.921.1Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone50.793.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm

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

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Column type Active phase I Reference Comment
CapillarySqualane803.Chen, 2008Program: not specified

References

Go To: Top, Phase change 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.

Boord, Henne, et al., 1949
Boord, C.E.; Henne, A.L.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Grignard Reagent in hydrocarbon synthesis, Ind. Eng. Chem., 1949, 41, 609. [all data]

Murphy and Duggan, 1949
Murphy, M.T.; Duggan, A.C., Pyrolysis of Butadiene, J. Am. Chem. Soc., 1949, 71, 3347. [all data]

Crane, Boord, et al., 1945
Crane, G.; Boord, C.E.; Henne, A.L., The Preparation of Cyclopentenes and Cyclopentanes I., J. Am. Chem. Soc., 1945, 67, 1237. [all data]

Chiurdoglu, 1931
Chiurdoglu, G., Bull. Cl. Sci., Acad. R. Belg., 1931, 17, 1404. [all data]

Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A., Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes, Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]

McAlduff, Caramella, et al., 1978
McAlduff, E.J.; Caramella, P.; Houk, K.N., Photoelectron spectra of 3-substituted cyclopentenes. Correlations between ionization potentials and cycloaddition regioselectivity, J. Am. Chem. Soc., 1978, 100, 105. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O., Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes, Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862 . [all data]

Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S., Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire, Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600 . [all data]

Orav and Eisen, 1972
Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References