Adamantane
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: ORILYTVJVMAKLC-UHFFFAOYSA-N
- CAS Registry Number: 281-23-2
- 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. - Other names: Tricyclo[3.3.1.1(3,7)]decane; Tricyclo(3,3,1,1,3,7)-decane; tricyclo[3.3.1.13,7]decane
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IR Spectrum
Go To: Top, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Gas Chromatography
Go To: Top, IR Spectrum, 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 |
---|---|---|---|---|---|
Packed | PMS-1000 | 120. | 1121. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Packed | SE-30 | 160. | 1117. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Packed | SE-30 | 150. | 1120. | L'vova, Kurbatova, et al., 2001 | N2, N-AW Chromaton; Column length: 1. m |
Packed | SE-30 | 150. | 1120. | Yashkin, Kurbatova, et al., 2001 | CHromaton N-AW; Column length: 1. m |
Packed | C78, Branched paraffin | 130. | 1136.9 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Packed | PMS-1000 | 160. | 1149. | Kurbatova, Moiseev, et al., 1999 | N2, Chromatron N-AW; Column length: 1. m |
Packed | Apiezon L | 160. | 1116. | Kurbatova, Moiseev, et al., 1999 | N2, Chromatron N-AW; Column length: 1. m |
Packed | Apiezon L | 200. | 1116. | Kurbatova, Yashkin, et al., 1999 | N2, Chromaton N-AW; Column length: 1. m |
Packed | Apiezon L | 200. | 1116. | Kurbatova, Moiseev, et al., 1998 | Chromaton N-AW; Column length: 1. m |
Packed | PMS-1000 | 160. | 1149. | Kurbatova, Moiseev, et al., 1998, 2 | Chromaton N-AW; Column length: 1. m |
Packed | C78, Branched paraffin | 130. | 1135.3 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | Squalane | 110. | 1095.2 | Bender, Said, et al., 1986 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 110. | 1113. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | SE-30 | 120. | 1117. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | SE-30 | 130. | 1120. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | SE-30 | 145. | 1118. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | SE-30 | 150. | 1116. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 110. | 1095. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 125. | 1104. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 140. | 1114. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | SE-30 | 150. | 1116. | Shlyakhov, Anvaer, et al., 1975 | |
Packed | SE-30 | 120. | 1117. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 130. | 1120. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 140. | 1125. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | SE-30 | 130. | 1120. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 140. | 1128. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 150. | 1131. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 160. | 1130. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | Squalane | 110. | 1095. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | Squalane | 125. | 1104. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | Squalane | 140. | 1114. | Hála, Eyem, et al., 1970 | N2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 145. | 1118. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Capillary | SE-30 | 160. | 1132. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Capillary | SE-30 | 175. | 1143. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Capillary | SE-30 | 190. | 1153. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 160. | 1400. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Packed | Carbowax 20M | 150. | 1325. | L'vova, Kurbatova, et al., 2001 | N2, N-AW Chromaton; Column length: 1. m |
Packed | Carbowax 20M | 150. | 1325. | Yashkin, Kurbatova, et al., 2001 | Column length: 1. m |
Packed | Carbowax 20M | 220. | 1363. | Kurbatova, Moiseev, et al., 1998, 3 | N2, Chromaton N-AW; Column length: 1. m |
Capillary | Carbowax 20M | 145. | 1320. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Capillary | Carbowax 20M | 160. | 1339. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Capillary | Carbowax 20M | 175. | 1363. | Burkhard, Vais, et al., 1969 | N2; Column length: 50. m; Column diameter: 0.27 mm |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Adamantyl siloxane | 160. | 1123. | Konstantinova, Berezkin, et al., 2005 | 22. m/0.22 mm/0.20 μm, Nitrogen |
Capillary | Adamantyl siloxane | 160. | 1123. | Konstantinova, Berezkin, et al., 2005, 2 | Nitrogen; Column length: 22. m; Column diameter: 0.22 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 1076. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane | 1118. | Bayat and Abad, 2011 | Program: not specified |
Capillary | Polydimethyl siloxane | 1118. | Bayat and Abad M.F.Y., 2011 | Program: not specified |
Capillary | Apiezon L | 1144. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1400. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | Carbowax 20M | 1363. | Kurbatova, Kolosova, et al., 2000 | Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Arutyunov, Kudryashov, et al., 2004
Arutyunov, Y.I.; Kudryashov, S.Y.; Onuchak, L.A.,
Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular Mass,
J. Anal. Chem. USSR (Engl. Transl.), 2004, 59, 4, 358-365. [all data]
Kurbatova, Finkelstein, et al., 2004
Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V.,
Structural analogy method in studies of adamantanes,
J. Struct. Chem., 2004, 45, 1, 144-150, https://doi.org/10.1023/B:JORY.0000041513.82837.4e
. [all data]
L'vova, Kurbatova, et al., 2001
L'vova, N.Yu.; Kurbatova, S.V.; Yashkin, S.N.; Kolosova, E.A.,
Gas chromatography of halogenated adamantanes,
Russ. J. Phys. Chem. (Engl. Transl.), 2001, 75, 12, 2053-2056. [all data]
Yashkin, Kurbatova, et al., 2001
Yashkin, S.N.; Kurbatova, S.V.; Buryak, A.K.,
Gas chromatography of halogenated adamantanes,
Russ. Chem. Bull. (Engl. Transl.), 2001, 50, 5, 828-832, https://doi.org/10.1023/A:1011350908009
. [all data]
Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0
. [all data]
Kurbatova, Moiseev, et al., 1999
Kurbatova, S.V.; Moiseev, I.K.; Kudryashov, S.Yu.; Yashkin, S.N.; Postnikova, I.V.,
Chromatographic examination of the intermediate products of midantane synthesis,
J. Anal. Chem. USSR (Engl. Transl.), 1999, 54, 1, 75-77. [all data]
Kurbatova, Yashkin, et al., 1999
Kurbatova, S.V.; Yashkin, S.N.; Moiseev, I.K.; Zemtsova, M.N.,
A study of the cell effect for adamantane derivatives by gas-liquid chromatography,
Russ. J. Phys. Chem. (Engl. Transl.), 1999, 73, 9, 1486-1489. [all data]
Kurbatova, Moiseev, et al., 1998
Kurbatova, S.V.; Moiseev, I.K.; Zemtsova, M.N.; Kudryashov, S.Yu.,
Gas chromatography of aminoadamantanes,
J. Anal. Chem. USSR (Engl. Transl.), 1998, 53, 8, 732-734. [all data]
Kurbatova, Moiseev, et al., 1998, 2
Kurbatova, S.V.; Moiseev, I.K.; Klimochkin, Yu.N.; Arutyunov, Yu.N.,
Chromatography analysis of intermediates in the synthesis of remantadin,
J. Anal. Chem. USSR (Engl. Transl.), 1998, 53, 9, 865-868. [all data]
Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz.,
Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S
. [all data]
Bender, Said, et al., 1986
Bender, A.O.; Said, E.Z.; Abdulsada, A.K.,
Gas chromatographic identification of adamantanes in some Iraqi crude oils,
Analyst, 1986, 111, 5, 575-576, https://doi.org/10.1039/an9861100575
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Shlyakhov, Anvaer, et al., 1975
Shlyakhov, A.F.; Anvaer, B.I.; Zolotareva, O.V.; Romina, N.N.; Novikova, N.V.; Koreshkova, R.I.,
On the possibility of group indentification of hydrocarbons by gas chromatography from temperature coefficients of retention indices,
Zh. Anal. Khim., 1975, 30, 788-792. [all data]
Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A.,
Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography,
J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4
. [all data]
Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A.,
Gas chromatographic analysis of complex hydrocarbon mixtures,
J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0
. [all data]
Hála, Eyem, et al., 1970
Hála, S.; Eyem, J.; Burkhard, J.; Landa, S.,
Retention indices of adamantanes,
J. Chromatogr. Sci., 1970, 8, 4, 203-209, https://doi.org/10.1093/chromsci/8.4.203
. [all data]
Burkhard, Vais, et al., 1969
Burkhard, J.; Vais, J.; Vodicka, L.; Landa, S.,
Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivatives,
J. Chromatogr., 1969, 42, 207-218, https://doi.org/10.1016/S0021-9673(01)80617-8
. [all data]
Kurbatova, Moiseev, et al., 1998, 3
Kurbatova, S.V.; Moiseev, I.K.; Zemtsova, M.N.,
Regularities in chromatographic retention of some adamantane derivatives,
J. Anal. Chem. USSR (Engl. Transl.), 1998, 53, 1, 41-43. [all data]
Konstantinova, Berezkin, et al., 2005
Konstantinova, K.K.; Berezkin, V.G.; Kurbatova, S.V.; Finkel'shtein, E.E.,
Relationship between physicochemical properties and chromatographic retention of some adamantane derivatives,
Russ. J. Appl. Chem. (Engl. Transl.), 2005, 78, 9, 1498-1502, https://doi.org/10.1007/s11167-005-0546-y
. [all data]
Konstantinova, Berezkin, et al., 2005, 2
Konstantinova, K.K.; Berezkin, V.G.; Kurbatova, S.V.; Finkel'stein, E.E.,
Relationship between Physicochemical Properties and Chromatographic Retention of Some Adamantane Derivatives,
Rus. J. Applied Chem., 2005, 78, 9, 1522-1526, https://doi.org/10.1007/s11167-005-0546-y
. [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]
Bayat and Abad, 2011
Bayat, Z.; Abad, M.F.Y.,
Quantitative structure-property relationship (QSPR) study of Kovats retention indices of some of adamantane derivatives by the genetic algorithm amd nultiply linear regression (GA-MLR) method,
Petroleum Coal, 2011, 53, 2, 132-140. [all data]
Bayat and Abad M.F.Y., 2011
Bayat, Z.; Abad M.F.Y.,
Computational approaches to the prediction of the Kovats retention index (RI) for adamantane derivatives (AD) as a drug,
J. Chem. Pharm. Res., 2011, 3, 1, 48-55. [all data]
Finkelstein, Kurbatova, et al., 2002
Finkelstein, E.E.; Kurbatova, S.V.; Kolosova, E.A.,
Study of biological activity of structure analogies of adamantane,
Proc. Samara State Univ., 2002, 26, 4, 121-128. [all data]
Kurbatova, Kolosova, et al., 2000
Kurbatova, S.; Kolosova, E.; Solovova, N.; Finkelshtein, E.; Zemtsova, M.,
Gas-chromatographic investigation of adamantane oxygen derivatives,
Vestn. Samara State Univ., 2000, 4, 18, 167-172. [all data]
Notes
Go To: Top, IR Spectrum, Gas Chromatography, References
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