Benzene, (1-methylpentyl)-

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.


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

Quantity Value Units Method Reference Comment
Tboil482.65KN/APlaskunova, Shapovalova, et al., 1986Uncertainty assigned by TRC = 0.5 K
Tboil480.KN/AStephens and Roduta, 1935Uncertainty assigned by TRC = 3. 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:


Reaction thermochemistry 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 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-ethylbutyl)- = Benzene, (1-methylpentyl)-

By formula: C12H18 = C12H18

Quantity Value Units Method Reference Comment
Δr-0.07 ± 0.17kcal/molEqkPimerzin, Nesterova, et al., 1986liquid phase
Δr-0.07 ± 0.02kcal/molEqkPimerzin, Nesterova, et al., 1985liquid phase; AlCl3
Δr-0.07 ± 0.02kcal/molEqkNesterova, Pimerzin, et al., 1984liquid phase; At 325.0 K, see Pimerzin, Nesterova, et al., 1985, see Pimerzin, Nesterova, et al., 1986

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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 CONTINENTAL OIL CO., PONCA CITY, OKLA, USA
NIST MS number 34753

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, Phase change data, 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, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1389.4Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11182.Zenkevich, Ukolov, et al., 201130. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1389.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1389.Ivanciuc, Ivanciuc, et al., 2001Program: not specified

References

Go To: Top, Phase change data, 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.

Plaskunova, Shapovalova, et al., 1986
Plaskunova, S.L.; Shapovalova, I.M.; Serebryakov, B.P., Azerb. Khim. Zh., 1986, No. 4, 96-9. [all data]

Stephens and Roduta, 1935
Stephens, H.N.; Roduta, F.L., Oxidation in the Benzene Series by Gaseous Oxygen. V. The Oxidatioon of Tertiary Hydrocarbons, J. Am. Chem. Soc., 1935, 57, 2380. [all data]

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]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Zenkevich, Ukolov, et al., 2011
Zenkevich, I.G.; Ukolov, A.I.; Kushakova, A.S.; Gustyleva, L.K., Identification of isomeric alkylarenes with the use of additive relations for the evaluation of gas-chromatographic retention indices, Rus. J. Anal. Chem., 2011, 66, 12, 1165-1172, https://doi.org/10.1134/S1061934811120136 . [all data]

Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]

Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T., Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors, SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362 . [all data]


Notes

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