Benzene, (1-propylheptyl)-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Reaction thermochemistry data

Go To: Top, 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

Benzene, (1-butylhexyl)- = Benzene, (1-propylheptyl)-

By formula: C16H26 = C16H26

Quantity Value Units Method Reference Comment
Δr-0.01 ± 0.09kJ/molEqkPimerzin, Nesterova, et al., 1986liquid phase; GLC
Δr-0.01 ± 0.09kJ/molEqkPimerzin, Nesterova, et al., 1985liquid phase; AlCl3
Δr-0.01 ± 0.09kJ/molEqkNesterova, Pimerzin, et al., 1984liquid phase; At 341.9 K, see Pimerzin, Nesterova, et al., 1985, see Pimerzin, Nesterova, et al., 1986

Benzene, (1-propylheptyl)- = Benzene, (1-ethyloctyl)-

By formula: C16H26 = C16H26

Quantity Value Units Method Reference Comment
Δr0.09 ± 0.41kJ/molEqkPimerzin, Nesterova, et al., 1985liquid phase; AlCl3
Δr0.09 ± 0.41kJ/molEqkNesterova, Pimerzin, et al., 1984liquid phase; At 322.4 K, see Pimerzin, Nesterova, et al., 1985, see Pimerzin, Nesterova, et al., 1986

Mass spectrum (electron ionization)

Go To: Top, Reaction 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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61118

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Reaction thermochemistry 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101185.1538.Lesko, Holotík, et al., 1976N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryApiezon200.1550.Schomburg, 1966 

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11534.Peng, Hua, et al., 199230. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1743.Peng, Hua, et al., 199230. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11534.Peng, 199630. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1743.Peng, 199630. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySE-54264.4Peterman and Delfino, 199015. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min)

References

Go To: Top, Reaction thermochemistry 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.

Pimerzin, Nesterova, et al., 1986
Pimerzin, A.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1986, 17, 641-648. [all data]

Pimerzin, Nesterova, et al., 1985
Pimerzin, a.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1985, 17, 641-648. [all data]

Nesterova, Pimerzin, et al., 1984
Nesterova, T.N.; Pimerzin, A.A.; Rozhnov, A.M.; Roshchupkina, I.Ya., Thermodynamics of aromatic hydrocarbons, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 225-227. [all data]

Lesko, Holotík, et al., 1976
Lesko, J.; Holotík, S.; Krupcík, J.; Veselý, V., Gas Chromatographic and Mass Spectrometric Analysis of a Commercial Mixture of Phenylalkanes (Detergent Alkylates), J. Chromatogr., 1976, 119, 293-306, https://doi.org/10.1016/S0021-9673(00)86793-X . [all data]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe, J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4 . [all data]

Peng, Hua, et al., 1992
Peng, C.T.; Hua, R.L.; Maltby, D., Prediction of retention indexes. IV. Chain branching in alkylbenzene isomers with C10-13 alkyl chains identified in a scintillator solvent, J. Chromatogr., 1992, 589, 1-2, 231-239, https://doi.org/10.1016/0021-9673(92)80027-R . [all data]

Peng, 1996
Peng, C.T., Gas chromatographic identification of aromatic hydrocarbons in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]

Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J., Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin, Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References