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Pentane, 1-nitro-

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Condensed phase thermochemistry data

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-51.5 ± 0.35kcal/molCcbLebedeva and Ryadenko, 1973 
Quantity Value Units Method Reference Comment
Deltacliquid-794.5 ± 0.35kcal/molCcbLebedeva and Ryadenko, 1973 

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil445.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Deltavap12.0 ± 0.05kcal/molGSVerevkin, 1997Based on data from 278. - 318. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
348.70.030Weast and Grasselli, 1989BS

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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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 Japan AIST/NIMC Database- Spectrum MS-NW-7424
NIST MS number 238162

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

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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
CapillaryHP-1100.910.36Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-1110.911.95Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-1120.913.83Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-130.901.45Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-140.902.40Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-150.903.31Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-160.904.49Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-170.905.73Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-180.907.12Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
CapillaryHP-190.908.61Görgényi and Héberger, 2003N2; Column length: 30. m; Phase thickness: 3. «mu»m
PackedC78, Branched paraffin130.865.9Dallos, Sisak, et al., 2000He; Column length: 3.3 m
PackedC78, Branched paraffin130.867.0Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.869.Dutoit, 1991Column length: 3.7 m
PackedApolane70.855.1Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
PackedApiezon L100.890.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.906.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L130.896.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L190.905.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-Innowax100.1428.6Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax110.1431.0Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax120.1434.5Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax50.1405.8Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax60.1409.6Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax70.1414.0Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax80.1418.8Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m
CapillaryHP-Innowax90.1423.2Görgényi and Héberger, 2003Column length: 30. m; Phase thickness: 0.5 «mu»m

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

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Column type Active phase I Reference Comment
CapillaryHP-5947.Solina, Baumgartner, et al., 200525. m/0.2 mm/1. «mu»m, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C
CapillaryDB-5925.63Hobbs and Conde, 199230. m/0.25 mm/0.25 «mu»m, 5. K/min; Tstart: 40. C; Tend: 300. C
CapillaryDB-5946.04Hobbs and Conde, 199230. m/0.25 mm/0.25 «mu»m, 5. K/min; Tstart: 40. C; Tend: 300. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101902.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryTR-5 MS941.Kurashov, Mitrukova, et al., 201415. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)
CapillaryMethyl Silicone896.N/AProgram: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lebedeva and Ryadenko, 1973
Lebedeva, N.D.; Ryadenko, V.L.R., Enthalpies of formation of nitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1382. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Verevkin, 1997
Verevkin, Sergey P., Thermochemistry of nitro compounds. Experimental standard enthalpies of formation and improved group-additivity values, Thermochimica Acta, 1997, 307, 1, 17-25, https://doi.org/10.1016/S0040-6031(97)00359-6 . [all data]

Görgényi and Héberger, 2003
Görgényi, M.; Héberger, K., Minimum in the temperature dependence of the Kováts retention indices of nitroalkanes and alkanenitriles on an apolar phase, J. Chromatogr. A, 2003, 985, 1-2, 11-19, https://doi.org/10.1016/S0021-9673(02)01842-3 . [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Hobbs and Conde, 1992
Hobbs, J.R.; Conde, E.P., Gas chromatographic retention indices of explosives and nitro-compounds in Advances in Analysis and Detection of Explosives: Proceedings of the 4th International Symposium on Analysis of Detection of Explosives, September 7-10, 1992, Jerusalem Israel, J. Yinon, ed(s)., Kluwer Academic Publishers, Netherlands, 1992, 153-164. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References