1,5,9-Cyclododecatriene, (E,E,Z)-
- Formula: C12H18
- Molecular weight: 162.2713
- IUPAC Standard InChIKey: ZOLLIQAKMYWTBR-RYMQXAEESA-N
- CAS Registry Number: 706-31-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: cis-1, trans-5, trans-9-Cyclododecatriene; cis,trans,trans-1,5,9-Cyclododecatriene; trans-trans-cis-1,5,9-Cyclodecatriene; trans,trans,cis-1,5,9-Cyclododecatriene; (E,E,Z)-1,5,9-Cyclododecatriene; (1E,5E,9Z)-Cyclododeca-1,5,9-triene; 1,5,9-Cyclododecatriene, (1E,5E,9Z)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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.
Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 67.20 | kJ/mol | V | Rauh, Geyer, et al., 1973 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
68.0 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 373. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | 61488 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 160. | 1329. | Boneva and Balbolov, 1993 | 50. m/0.25 mm/1.0 μm, N2 |
Capillary | Methyl Silicone | 170. | 1338. | Boneva and Balbolov, 1993 | 50. m/0.25 mm/1.0 μm, N2 |
Capillary | Methyl Silicone | 180. | 1346. | Boneva and Balbolov, 1993 | 50. m/0.25 mm/1.0 μm, N2 |
Packed | SE-30 | 120. | 1292. | Drugov, Murav'eva, et al., 1991 | N2, Chromaton N AW (0.20-0.25 mm); Column length: 2. m |
Packed | SE-30 | 120. | 1296. | Drugov, Murav'eva, et al., 1991 | N2, Chromaton N AW (0.20-0.25 mm); Column length: 2. m |
Capillary | Squalane | 120. | 1284. | Schomburg, 1967 | Ar; Column length: 100. m |
Capillary | Squalane | 120. | 1279. | Schomburg, 1966 |
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.
Rauh, Geyer, et al., 1973
Rauh, H.J.; Geyer, W.; Schmidt, H.; Geiseler, G.,
Bildungsenthalpien und mesomerieenergien von π-bindungssystemen,
Z. Phys. Chem. (Leipzig), 1973, 253, 43-48. [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]
Boneva and Balbolov, 1993
Boneva, S.; Balbolov, E.,
Capillary gas chromatography of hydrogenation products of 1,5,9-cyclododecatriene stereoisomers,
Chromatographia, 1993, 37, 5/6, 277-280, https://doi.org/10.1007/BF02278633
. [all data]
Drugov, Murav'eva, et al., 1991
Drugov, Yu.S.; Murav'eva, G.V.; Shlyakhov, A.F.,
Gas-Chromatographic Determination of 1,3-Butadine Trimers in the Atmosphere,
J. Anal. Chem. USSR (Engl. Transl.), 1991, 8, 1155-1160. [all data]
Schomburg, 1967
Schomburg, G.,
Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte,
Anal. Chim. Acta., 1967, 38, 45-64, https://doi.org/10.1016/S0003-2670(01)80560-2
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.