1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester

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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil593.KN/AHaertel, 1985Uncertainty assigned by TRC = 4. 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:


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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 62127

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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
CapillaryOV-101230.1847.Friocourt, Berthou, et al., 197950. m/0.3 mm/0.35 μm, H2

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-301863.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1871.8Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryHP-5MS1868.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51873.Xian Q., Chen H., et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 20. min; Tstart: 50. C
CapillaryHP-5MS1867.5Zhao C.X., Li, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryHP-5MS1867.8Zhao, Liang, et al., 200530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 80. C; Tend: 290. C
CapillaryHP-5MS1870.9Zhao, Liang, et al., 200530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 290. C
CapillaryHP-5MS1874.3Zhao, Liang, et al., 200530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 80. C; Tend: 290. C
CapillaryBPX-51876.Dickschat, Wenzel, et al., 200425. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C
CapillaryDB-11819.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillarySE-541862.Weber, 198625. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C
CapillarySE-541871.Weber, 198625. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-102536.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-102536.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax2526.Umano, Hagi, et al., 1992He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryVF-5 MS1865.Souza, Re-Poppi, et al., 201230. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min
CapillaryOV-11916.Hu, Liang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min
CapillaryHP-5 MS1869.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1869.Zhao, Zeng, et al., 200930. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C
CapillaryHP-51877.Yassa and Akhani, 200730. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C
CapillaryDB-11826.Hadian, Sonboli, et al., 200660. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryUltra-11819.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

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Column type Active phase I Reference Comment
CapillaryTR-5 MS1871.Kurashov, Mitrukova, et al., 201415. m/0.25 mm/0.25 μm, 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)
CapillaryTR-5 MS1881.Kurashov, Krylova, et al., 201315. m/0.25 mm/0.25 μm, 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 mion) 15 0C/min -> 240 0C (10 min)
CapillarySLB-5 MS1865.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1908.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryRTX-5 MS1869.Nadaf, Halimi, et al., 201215. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min)
CapillaryBPX-51897.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51868.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51875.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51871.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-5 MS1873.Xian, Chen, et al., 200630. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min)
CapillaryHP-5MS1877.Alissandrakis, Kibaris, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
CapillaryHP-51866.Yasar, Üçüncü, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 3C/min => 120C (2min) => 2C/min => 200C (2min) => 3C/min => 320C
CapillaryBPX-51881.Madruga, Arruda, et al., 200050. m/0.32 mm/0.50 μm, Helium; Program: 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1847.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1863.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone1853.Ardrey and Moffat, 1981Program: not specified
OtherMethyl Silicone1868.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2592.Dregus and Engel, 200360. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2548.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1316.6Johnson, Urso, et al., 199730. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

References

Go To: Top, Phase change 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.

Haertel, 1985
Haertel, G.H., Low-volatility polar organic solvents for sulfur dioxide, hydrogen sulfide, and carbonyl sulfide., J. Chem. Eng. Data, 1985, 30, 57. [all data]

Friocourt, Berthou, et al., 1979
Friocourt, M.P.; Berthou, F.; Picart, D.; Dreano, Y.; Floch, H.H., Glass Capillary Column Gas Chromatography of Phthalate Esters, J. Chromatogr., 1979, 172, 1, 261-271, https://doi.org/10.1016/S0021-9673(00)90961-0 . [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Xian Q., Chen H., et al., 2006
Xian Q.; Chen H.; Zou H.; Yin D., Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L., Flavour Fragr. J., 2006, 21, 3, 524-526, https://doi.org/10.1002/ffj.1588 . [all data]

Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q., Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods, Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008 . [all data]

Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N., Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils, J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067 . [all data]

Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S., Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus, ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813 . [all data]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]

Weber, 1986
Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr)., Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press), J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [all data]

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [all data]

Yassa and Akhani, 2007
Yassa, N.; Akhani, H., The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]

Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H., Essential oil composition of Nepeta satureioides from Iran, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [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]

Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G., Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation, Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M., Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS, Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [all data]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H., Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa, Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Yasar, Üçüncü, et al., 2005
Yasar, A.; Üçüncü, O.; Güleç, C.; Inceer, H.; Ayaz, S.; Yayh, N., GC-MS analysis of chloroform extracts in flowers, stems, and roots of Tripleurospermum callosum, Pharm. Biol., 2005, 43, 2, 108-112, https://doi.org/10.1080/13880200590919384 . [all data]

Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G., Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat, Meat Sci., 2000, 56, 2, 117-125, https://doi.org/10.1016/S0309-1740(00)00025-5 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J., Research advances on the essential oils from leaves of Eucalyptus, Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]


Notes

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