2-Chloroadamantane

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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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δsub61.5 ± 0.8kJ/molMEAbboud, Castaño, et al., 2002AC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.470227.crystaline, IIIcrystaline, IIParoli, Kawai, et al., 1988DH
8.300242.crystaline, IIcrystaline, IParoli, Kawai, et al., 1988DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.3227.crystaline, IIIcrystaline, IIParoli, Kawai, et al., 1988DH
35.242.crystaline, IIcrystaline, IParoli, Kawai, et al., 1988DH

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

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30150.1350.L'vova, Kurbatova, et al., 2001N2, N-AW Chromaton; Column length: 1. m
PackedSE-30150.1345.Yashkin, Kurbatova, et al., 2001CHromaton N-AW; Column length: 1. m
CapillarySE-30145.1342.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30160.1361.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30175.1376.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1745.L'vova, Kurbatova, et al., 2001N2, N-AW Chromaton; Column length: 1. m
PackedCarbowax 20M150.1741.Yashkin, Kurbatova, et al., 2001Column length: 1. m
CapillaryCarbowax 20M145.1738.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M160.1765.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M175.1791.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1404.N/A30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1342.Bayat and Abad, 2011Program: not specified

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Abboud, Castaño, et al., 2002
Abboud, José-Luis M.; Castaño, Obis; Dávalos, Juan Z.; Jiménez, Pilar; Gomperts, Roberto; Müller, Paul; Roux, María Victoria, Intrinsic (Gas Phase) Thermodynamic Stability of 2-Adamantyl Cation. Its Bearing on the Solvolysis Rates of 2-Adamantyl Derivatives, J. Org. Chem., 2002, 67, 4, 1057-1060, https://doi.org/10.1021/jo016206f . [all data]

Paroli, Kawai, et al., 1988
Paroli, R.M.; Kawai, N.T.; Butler, I.S.; Gilson, D.F.R., Phase transitions in adamantane derivatives: 2-chloroadamantane, Can. J. Chem., 1988, 66, 1973-1978. [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]

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]

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]


Notes

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