Benzene, propyl-

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.


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

Go To: Top, 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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSCP-Sil 8CB-MSHP-5SPB-5Petrocol DH
Column length (m) 30.0.25.30.50.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.20.250.25
Phase thickness (μm) 0.250.251.0.250.5
Tstart (C) 40.40.40.60.35.
Tend (C) 285.280.280.250.200.
Heat rate (K/min) 4.34.5.4.3.
Initial hold (min)  2. 2.10.
Final hold (min)  5.5.20.10.
I 943.957.958.957.944.4
ReferenceRadulovic, Misic, et al., 2007Elmore, Cooper, et al., 2005Solina, Baumgartner, et al., 2005Pino, Marbot, et al., 2004Censullo, Jones, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-1DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.251.
Tstart (C) 40.40.40.40.50.
Tend (C) 310.310.310.325.200.
Heat rate (K/min) 2.4.6.3.2.5
Initial hold (min)      
Final hold (min)      
I 946.9950.5952.3933.5959.1
ReferenceSong, Lai, et al., 2003Song, Lai, et al., 2003Song, Lai, et al., 2003Sun and Stremple, 2003Xu, van Stee, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBHP-5BPX-5BPX-5OV-101
Column length (m) 60.30.50.50.80.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.320.320.22
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 40.40.35.35.30.
Tend (C) 250.180.250.250.130.
Heat rate (K/min) 4.3.4.4.1.
Initial hold (min) 8. 3.3. 
Final hold (min) 10. 10.10. 
I 953.950.959.964.939.6
ReferenceOruna-Concha, Ames, et al., 2002Isidorov, Krajewska, et al., 2001Oruna-Concha, Duckham, et al., 2001Oruna-Concha, Duckham, et al., 2001Yin, Liu, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SE-54PONAPONAOV-1
Column length (m) 10.50.50.50. 
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.250.320.20.2 
Phase thickness (μm) 0.251.0.50.5 
Tstart (C) 30.40.35.35.35.
Tend (C) 225.220.220.220.300.
Heat rate (K/min) 2.10.1.1.8.
Initial hold (min)  2.0.50.5 
Final hold (min)  5.8.8. 
I 928.960.7935.4942.1939.6
ReferenceBeens, Tijssen, et al., 1998Kivi-Etelätalo, Kostiainen, et al., 1997Martos, Saraullo, et al., 1997Martos, Saraullo, et al., 1997Gautzsch and Zinn, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-1Petrocol DH
Column length (m) 30.30.30.30.100.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.251.50.5
Tstart (C) 40.40.40.40.30.
Tend (C) 310.310.310.280.220.
Heat rate (K/min) 2.4.6.8.1.
Initial hold (min)    4. 
Final hold (min)      
I 946.9950.5952.3945.938.2
ReferenceLai and Song, 1995Lai and Song, 1995Lai and Song, 1995Peng, Hua, et al., 1992White, Douglas, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Petrocol DHPetrocol DHUltra-2Ultra-2Ultra-2
Column length (m) 100.100.25.25.25.
Carrier gas HeHeN2N2N2
Substrate      
Column diameter (mm) 0.250.250.20.20.2
Phase thickness (μm) 0.50.50.330.330.33
Tstart (C) 30.30.60.0160.0160.01
Tend (C) 220.220.   
Heat rate (K/min) 1.1.15.2.7.
Initial hold (min)      
Final hold (min)      
I 938.65938.963.9958.2960.8
ReferenceWhite, Douglas, et al., 1992White, Hackett, et al., 1992Akporhonor, le Vent, et al., 1990Akporhonor, le Vent, et al., 1990Akporhonor, le Vent, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2Ultra-2Ultra-2DB-5SE-54
Column length (m) 25.25.25.15.25.
Carrier gas N2N2N2HeHe
Substrate      
Column diameter (mm) 0.20.20.20.530.32
Phase thickness (μm) 0.330.330.331.50.15
Tstart (C) 120.01120.01120.0140.40.
Tend (C)    90.280.
Heat rate (K/min) 15.2.7.4.5.
Initial hold (min)     1.
Final hold (min)     15.
I 976.6971.5974.4948.942.1
ReferenceAkporhonor, le Vent, et al., 1990Akporhonor, le Vent, et al., 1990Akporhonor, le Vent, et al., 1990Morinaga, Hara, et al., 1990Shapi and Hesso, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-1HP-1HP-1HP-1SE-30
Column length (m) 50.25.25.25.60.
Carrier gas HeN2N2N2H2
Substrate      
Column diameter (mm) 0.20.20.20.20.25
Phase thickness (μm) 0.33   1.
Tstart (C) 0.30.30.30.60.
Tend (C) 240.    
Heat rate (K/min) 2.10.2.5.1.
Initial hold (min)    5. 
Final hold (min)      
I 938.87940.4935.6935.2939.5
ReferenceSteward and Pitzer, 1988Bangjie, Xijian, et al., 1987Bangjie, Xijian, et al., 1987Bangjie, Xijian, et al., 1987Krupcík, Repka, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-1Ultra-1Ultra-1Ultra-2Ultra-2
Column length (m) 50.50.50.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.220.220.220.22
Phase thickness (μm) 0.330.330.330.330.33
Tstart (C) -30.-30.-30.-30.-30.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 1.2.3.1.2.
Initial hold (min)      
Final hold (min)      
I 934.43937.74939.69950.62954.04
ReferenceHaynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Ultra-2OV-101
Column length (m) 50.108.
Carrier gas He 
Substrate   
Column diameter (mm) 0.220.25
Phase thickness (μm) 0.330.2
Tstart (C) -30.35.
Tend (C) 240.200.
Heat rate (K/min) 3.1.
Initial hold (min)   
Final hold (min)   
I 956.30937.
ReferenceHaynes and Pitzer, 1985Hayes and Pitzer, 1981
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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

Radulovic, Misic, et al., 2007
Radulovic, N.; Misic, M.; Aleksic, J.; Dokovic, D.; Palic, R.; Stojanovic, G., Antimicrobial synergism and antagonism of salicylaldehyde in Filipendula vulgaris essential oil, Fitoterapia, 2007, 78, 7-8, 565-570, https://doi.org/10.1016/j.fitote.2007.03.022 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [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]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J., Comparison of the volatile components of eight cultivars of potato after microwave baking, Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Oruna-Concha, Duckham, et al., 2001
Oruna-Concha, M.J.; Duckham, S.C.; Ames, J.M., Comparison of volatile compounds isolated from the skin and flesh of four potato cultivars after baking, J. Agric. Food Chem., 2001, 49, 5, 2414-2421, https://doi.org/10.1021/jf0012345 . [all data]

Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M., Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography, J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4 . [all data]

Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J., Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise, J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9 . [all data]

Kivi-Etelätalo, Kostiainen, et al., 1997
Kivi-Etelätalo, E.; Kostiainen, O.; Kokko, M., Analysis of volatile organic compounds in air using retention indices together with a simple thermal desorption and cold trap method, J. Chromatogr. A, 1997, 787, 1-2, 205-214, https://doi.org/10.1016/S0021-9673(97)00663-8 . [all data]

Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J., Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air, Anal. Chem., 1997, 69, 3, 402-408, https://doi.org/10.1021/ac960633p . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [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]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Akporhonor, le Vent, et al., 1990
Akporhonor, E.E.; le Vent, S.; Taylor, D.R., Calculation of programmed temperature gas chromatographic characteristics from isothermal data. III. Predicted retention indices and equivalent temperatures, J. Chromatogr., 1990, 504, 269-278, https://doi.org/10.1016/S0021-9673(01)89532-7 . [all data]

Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S., A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column, Z. Rechtsmed., 1990, 103, 8, 567-572, https://doi.org/10.1007/BF01261420 . [all data]

Shapi and Hesso, 1990
Shapi, M.M.; Hesso, A., Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysis, J. Anal. Appl. Pyrolysis, 1990, 18, 2, 143-161, https://doi.org/10.1016/0165-2370(90)80004-8 . [all data]

Steward and Pitzer, 1988
Steward, E.M.; Pitzer, E.W., Gas Chromatographic Analyses of Complex Hydrocarbon Mixtures Void of n-Paraffin Retention Index Markers Using Joint Mass Spectral and Retention Index Libraries, J. Chromatogr. Sci., 1988, 26, 5, 218-222, https://doi.org/10.1093/chromsci/26.5.218 . [all data]

Bangjie, Xijian, et al., 1987
Bangjie, C.; Xijian, G.; Shaoyi, P., Calculation of retention indices in temperature-programmed gas chromatography, Chromatographia, 1987, 23, 12, 888-892, https://doi.org/10.1007/BF02261466 . [all data]

Krupcík, Repka, et al., 1987
Krupcík, J.; Repka, D.; Hevesi, T.; Garaj, J., Use of Kováts retention indices for characterizing solutes in complex samples separated by linear temperature-programmed capillary gas-liquid chromatography, J. Chromatogr., 1987, 406, 117-129, https://doi.org/10.1016/S0021-9673(00)94022-6 . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References