Cyclododecanone
- Formula: C12H22O
- Molecular weight: 182.3025
- IUPAC Standard InChIKey: SXVPOSFURRDKBO-UHFFFAOYSA-N
- CAS Registry Number: 830-13-7
- Chemical structure:
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.96 ± 0.03 | PI | Golubitskii, Kulikov, et al., 1979 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C10H18O+ | 10.10 ± 0.05 | C2H4 | PI | Golubitskii, Kulikov, et al., 1979 | LLK |
C12H2O+ | 10.13 ± 0.05 | H2O | PI | Golubitskii, Kulikov, et al., 1979 | LLK |
C12H21+ | 10.03 ± 0.05 | OH | PI | Golubitskii, Kulikov, et al., 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics 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
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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-4529 |
NIST MS number | 228999 |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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 | OV-1 | 150. | 1492.8 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | OV-1 | 170. | 1505.6 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | OV-1 | 190. | 1528.9 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | OV-1 | 150. | 1492.8 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Capillary | OV-1 | 170. | 1505.6 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Capillary | OV-1 | 190. | 1528.9 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Packed | OV-101 | 220. | 1570.4 | Didaoui, Touabet, et al., 1997 | N2, Chromosorb G HP; Column length: 2. m |
Capillary | SE-30 | 220. | 1562.8 | Didaoui, Touabet, et al., 1997 | 27. m/0.4 mm/1.13 μm, N2, Chromosorb G HP |
Capillary | SE-30 | 200. | 1574.1 | Didaoui, Touabet, et al., 1997 | 27. m/0.4 mm/0.1 μm, N2, Chromosorb G HP |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1524. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 40M | 150. | 1923.2 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | Carbowax 40M | 170. | 1956.4 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | Carbowax 40M | 190. | 1992.7 | Rudenko and Rudenko, 2005 | He; Column diameter: 0.25 mm |
Capillary | Carbowax 40M | 150. | 1923.2 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Capillary | Carbowax 40M | 170. | 1956.4 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Capillary | Carbowax 40M | 190. | 1992.7 | Rudenko and Rudenko, 2000 | He; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Other | Methyl Silicone | 1524. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Gas phase ion energetics 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.
Golubitskii, Kulikov, et al., 1979
Golubitskii, A.E.; Kulikov, N.S.; Zyakun, A.M.; Valovoi, V.A.; Alekseev, A.M.; Volkov, V.N.,
Photoionization mass spectra of alicyclic compounds with various substituents, and their ionization energies and appearance energies,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979, 11, 2602. [all data]
Rudenko and Rudenko, 2005
Rudenko, B.A.; Rudenko, G.I.,
Gas chromatography with open tubular columns of cyclododecane derivatives,
J. Anal. Chem. USSR (Engl. Transl.), 2005, 60, 4, 345-348. [all data]
Rudenko and Rudenko, 2000
Rudenko, B.A.; Rudenko, G.I.,
Capillary chromatography of cyclododecane derivatives, Proceedings, 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]
Didaoui, Touabet, et al., 1997
Didaoui, L.; Touabet, A.; Meklati, B.Y.,
Comparison of mathematical methods for the calculation of retention indices at high temperature in gas chromatography,
J. Hi. Res. Chromatogr., 1997, 20, 11, 605-610, https://doi.org/10.1002/jhrc.1240201107
. [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]
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]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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