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4-Octene, (Z)-

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil395.7KN/AWeast and Grasselli, 1989BS
Tboil395.82KN/AKuus, Kudryavtseva, et al., 1980Uncertainty assigned by TRC = 0.2 K; from Int. Dtra Ser., 1980 (2), 123; TRC
Tboil395.67KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.5 K; TRC
Tboil395.69KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.3 K; TRC
Tboil393.4KN/AYoung, Jasaitis, et al., 1937Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tfus153.83KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 1. K; TRC
Tfus154.13KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.5 K; TRC
Tfus154.45KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.2 K; TRC
Tfus155.KN/ACampbell and Eby, 1941Uncertainty assigned by TRC = 2. K; TRC
Tfus155.15KN/ACampbell and Eby, 1941, 2Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap9.49kcal/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.89368.AStephenson and Malanowski, 1987Based on data from 353. - 395. K.; AC

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

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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

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

Hydrogen + 4-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Deltar-28.25 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane
Deltar-28.62 ± 0.52kcal/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane
Deltar-27.39 ± 0.14kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid

Octane = Hydrogen + 4-Octene, (Z)-

By formula: C8H18 = H2 + C8H16

Quantity Value Units Method Reference Comment
Deltar28.260kcal/molEqkEliseev, 1986liquid phase

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.836 ± 0.006PIRang, Martinson, et al., 1974LLK
8.841 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.03 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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Mass 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-3496
NIST MS number 227615

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPetrocol DH30.798.5Soják, Addová, et al., 2004150. m/0.25 mm/1. «mu»m, H2
CapillarySqualane30.785.3Soják, Addová, et al., 2004He; Column length: 93. m; Column diameter: 0.25 mm
CapillarySqualane100.788.Heinzen, Soares, et al., 1999 
CapillaryOV-10140.798.Laub and Purnell, 1988 
CapillaryOV-10160.798.Laub and Purnell, 1988 
CapillaryOV-10180.799.Laub and Purnell, 1988 
CapillaryOV-101110.800.Rang, Kuningas, et al., 1987He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryDB-140.798.Lubeck and Sutton, 198460. m/0.264 mm/0.25 «mu»m, H2
CapillaryHP-PONA40.798.Lubeck and Sutton, 198450. m/0.21 mm/0.5 «mu»m, H2
CapillarySqualane100.786.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.789.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane55.789.5Lulova, Leont'eva, et al., 1975He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane80.788.7Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.788.Sojak, Hrivnak, et al., 1973 
CapillarySqualane115.789.Sojak, Hrivnak, et al., 1973 
CapillarySqualane86.788.Sojak, Hrivnak, et al., 1973 
CapillaryApiezon L100.794.3Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane80.787.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.788.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane115.788.6Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane86.787.9Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane40.786.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1806.Hoekman, 199360. m/0.32 mm/1.0 «mu»m, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.857.Rang, Orav, et al., 1988 
CapillaryPEG 4000110.858.Rang, Orav, et al., 1988 
CapillaryPEG 400060.852.Rang, Orav, et al., 1988 
CapillaryPEG 400070.853.Rang, Orav, et al., 1988 
CapillaryPEG 400080.854.Rang, Orav, et al., 1988 
CapillaryPolyethylene Glycol 4000100.856.6Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.851.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400070.852.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400070.852.7Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.856.6Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.851.9Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5798.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryBP-185.799.Cavell, Chan, et al., 199150. m/0.32 mm/2.0 «mu»m, Nitrogen
CapillaryBP-185.800.Cavell, Chan, et al., 199150. m/0.32 mm/2.0 «mu»m, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB808.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH798.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillarySPB-5796.Sivadier, Ratel, et al., 200960. m/0.32 mm/1.00 «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
CapillaryPetrocol DH798.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 «mu»m, 1. K/min; Tstart: 40. C; Tend: 300. C
CapillaryPetrocol DH798.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 «mu»m, 1. K/min; Tstart: 40. C; Tend: 300. C
CapillaryPetrocol DH799.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 «mu»m, 1. K/min; Tstart: 40. C; Tend: 300. C
CapillaryOV-101796.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane788.Junkes, Castanho, et al., 2003Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

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]

Kuus, Kudryavtseva, et al., 1980
Kuus, M.; Kudryavtseva, L.S.; Eisen, O.G., Eesti NSV Tead. Akad. Toim., Keem., 1980, 29, 25. [all data]

Hoff, Greenlee, et al., 1951
Hoff, M.C.; Greenlee, K.W.; Boord, C.E., The Quantitavitve Inversion of cis- and trans-Alkene Isomers: A New Synthesis of Normal cis-Alkenes, J. Am. Chem. Soc., 1951, 73, 3329-36. [all data]

Young, Jasaitis, et al., 1937
Young, W.G.; Jasaitis, Z.; Levanas, L., J. Am. Chem. Soc., 1937, 59, 403. [all data]

Campbell and Eby, 1941
Campbell, K.N.; Eby, L.T., The preparation of higher cis and trans olefins, J. Am. Chem. Soc., 1941, 63, 216. [all data]

Campbell and Eby, 1941, 2
Campbell, K.N.; Eby, L.T., The Reduction of Multiple Carbon-Carbon Bonds III. Further Studies on the Preparation of Olefins from Acetylenes, J. Am. Chem. Soc., 1941, 63, 2683. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Rogers, Dejroongruang, et al., 1992
Rogers, D.W.; Dejroongruang, K.; Samuel, S.D.; Fang, W.; Zhao, Y., Enthalpies of hydrogenation of the octenes and the methylheptenes, J. Chem. Thermodyn., 1992, 24, 561-565. [all data]

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [all data]

Eliseev, 1986
Eliseev, N.A., Thermodynamic calculation of the equilibrium composition of isomeric octenes in dehydrogenation of n-octane, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 26-29. [all data]

Rang, Martinson, et al., 1974
Rang, S.; Martinson, E.; Muurisepp, M., Ionization potentials of unsaturated hydrocarbons. 1. n-Alkenes, Eesti NSV Teaduste Akadeemia Toimetised 23, Eesti. NSV Tead. Akad. Toim., 1974, 352. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Soják, Addová, et al., 2004
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Bohác, A., Capillary gas chromatography-mass spectrometry of all 93 acyclic octenes and their identification in fluid catalytic cracked gasoline, J. Chromatogr. A, 2004, 1025, 2, 237-253, https://doi.org/10.1016/j.chroma.2003.10.112 . [all data]

Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A., Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes, J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0 . [all data]

Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H., Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908 . [all data]

Rang, Kuningas, et al., 1987
Rang, S.; Kuningas, K.; Strenze, T.; Orav, A.; Eisen, O., Retention and Thermodynamics of Solution of n-Alkenes in OV-101, J. Chromatogr., 1987, 406, 75-80, https://doi.org/10.1016/S0021-9673(00)94018-4 . [all data]

Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L., Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913 . [all data]

Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N., Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]

Lulova, Leont'eva, et al., 1975
Lulova, N.I.; Leont'eva, S.A.; Fedosova, A.K.; Kvasova, V.A., Individual composition of hydrocarbons in naphthas from secondary processes, Chem. Technol. Fuels Oils (Engl. Transl.), 1975, 11, 1/2, 59-64, https://doi.org/10.1007/BF00717315 . [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices, Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021 . [all data]

Sojak, Hrivnak, et al., 1973
Sojak, L.; Hrivnak, J.; Majer, P.; Janak, J., Capillary Gas Chromatography of Linear Alkenes on Squalane, Anal. Chem., 1973, 45, 2, 293-302, https://doi.org/10.1021/ac60324a039 . [all data]

Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S., Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire, Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600 . [all data]

Orav and Eisen, 1972
Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]

Soják and Bucinská, 1970
Soják, L.; Bucinská, A., Open tubular column gas chromatography of dehydrogenation products of C6-C10 n-alkanes. Separation and identification of mixtures of C6-C10 straight-chain alkanes, alkenes and aromatics, J. Chromatogr., 1970, 51, 75-82, https://doi.org/10.1016/S0021-9673(01)96841-4 . [all data]

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]

Hoekman, 1993
Hoekman, S.K., Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions, J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F . [all data]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Cavell, Chan, et al., 1991
Cavell, K.J.; Chan, K.Y.; Peacock, E.J.; Ridd, M.J.; Davies, N.W., Olefin isomerization catalysts based on dithio palladium(II) complexes, Aust. J. Chem., 1991, 44, 2, 171-180, https://doi.org/10.1071/CH9910171 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Sojak, Kubinec, et al., 2006
Sojak, L.; Kubinec, R.; Jurdakova, H.; Hajekova, E.; Bajus, M., GC-MS of polyethylene and polypropylene thermal cracking produxts, Petroleum Coal, 2006, 48, 1, 1-14. [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References