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Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-

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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
Tboil449.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil449.4KN/AVon Braun and Lemke, 1923Uncertainty assigned by TRC = 2. K; TRC
Tboil449.4KN/ALebedev and Skawronskaja, 1911Uncertainty assigned by TRC = 3. K; TRC
Tboil450.KN/AWallach and Conrady, 1889Uncertainty assigned by TRC = 6. K; TRC
Tboil449.KN/AWallach, 1888Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltavap11.7 ± 0.02kcal/molCAtik, Saito, et al., 1987AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.2340.N/ANadais and Bernardo-Gil, 1993Based on data from 325. - 450. K.; AC
10.9318.AStephenson and Malanowski, 1987Based on data from 303. - 363. K. See also Bukala, Majewski, et al., 1954.; 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:


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 CONTINENTAL OIL CO., PONCA CITY, OKLA, USA
NIST MS number 34871

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

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1027.Saroglou, Marin, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
Capillary5 % Phenyl methyl siloxane1055.Estevez, Ventanas, et al., 200530. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5MS1031.Karioti, Hadjipavlou-Litina, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C

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

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Column type Active phase I Reference Comment
CapillaryHP-20M1208.Maric, Jukic, et al., 200750. m/0.2 mm/0.2 «mu»m, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min
CapillaryHP-Innowax1193.Saroglou, Marin, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryCP-Wax 52CB1183.Kjeldsen, Christensen, et al., 200350. m/0.25 mm/0.2 «mu»m, He, 32. C @ 1. min, 1. K/min; Tend: 220. C
CapillarySupelcowax-101199.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101199.Chung, Yung, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1031.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryDB-11014.Mahalwal and Ali, 200330. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 80. C; Tend: 250. C
CapillaryOV-1011020.Orav, Kailas, et al., 200250. m/0.2 mm/0.5 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryZEBRON-51014.Öztürk, Akay, et al., 20026. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 200. C @ 15. min

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101204.Orav, Kailas, et al., 200260. m/0.2 mm/0.5 «mu»m, He, 2. K/min; Tstart: 70. C; Tend: 220. C

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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Von Braun and Lemke, 1923
Von Braun, J.; Lemke, G., Ber. Dtsch. Chem. Ges., 1923, 56, 1562. [all data]

Lebedev and Skawronskaja, 1911
Lebedev, S.; Skawronskaja, F., Zh. Russ. Fiz.-Khim. O-va., Chast Khim., 1911, 43, 1136. [all data]

Wallach and Conrady, 1889
Wallach, O.; Conrady, B., Justus Liebigs Ann. Chem., 1889, 252, 141. [all data]

Wallach, 1888
Wallach, O., Justus Liebigs Ann. Chem., 1888, 246, 221. [all data]

Atik, Saito, et al., 1987
Atik, Zadjia; Saito, Yoshihiro; Kusano, Kazuhito, Thermodynamic properties of liquid enantiomers I. Enthalpies of vaporization of fenchones, «alpha»-methylbenzylamines, and limonenes at 298.15 K, The Journal of Chemical Thermodynamics, 1987, 19, 1, 99-102, https://doi.org/10.1016/0021-9614(87)90167-4 . [all data]

Nadais and Bernardo-Gil, 1993
Nadais, M. Helena; Bernardo-Gil, M.G., Vapour - liquid equilibria of «alpha»-pinene + limonene at reduced pressures, Fluid Phase Equilibria, 1993, 91, 2, 321-330, https://doi.org/10.1016/0378-3812(93)85107-W . [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]

Bukala, Majewski, et al., 1954
Bukala, M.; Majewski, J.; Rodzinski, W., Przem. Chem., 1954, 10, 6. [all data]

Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H., Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia, Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009 . [all data]

Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R., Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters, J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q . [all data]

Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

Maric, Jukic, et al., 2007
Maric, S.; Jukic, M.; Katalinic, V.; Milos, M., Comparison of chemical composition and free radical scavenging ability of glycosidically bound and free volatiles from Bosnian pine (Pinus heldreichii Christ. var. leucodermis), Molecules, 2007, 12, 3, 283-289, https://doi.org/10.3390/12030283 . [all data]

Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M., Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage, J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q . [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]

Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R., Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS, J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s . [all data]

Mahalwal and Ali, 2003
Mahalwal, V.S.; Ali, M., Volatile constituents of Cymbopogon nardus (Linn.) rendle, Flavour Fragr. J., 2003, 18, 1, 73-76, https://doi.org/10.1002/ffj.1144 . [all data]

Orav, Kailas, et al., 2002
Orav, A.; Kailas, T.; Müürisepp, M., Composition of blackcurrant aroma isolated from leaves, buds, and berries of Ribes nigrum L., Proc. Est. Acad. Sci. Chem., 2002, 51, 4, 225-234. [all data]

Öztürk, Akay, et al., 2002
Öztürk, M.; Akay, F.; Duru, M.E.; Bilsel, G.; Harmandar, M., The volatile oil constituents and biological activity of aerial part of Inula heterolepis Boiss., Proc. ICNP-2002 - Trabzon/Turkiye, 2002, 298-303. [all data]


Notes

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