1,4-Butanediamine

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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)

Quantity Value Units Method Reference Comment
Proton affinity (review)1005.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity954.3kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
1005.6 ± 6.7Schroeder, Andriole, et al., 2004Protonation entropy from EKM measurements may reflect transition state rather than themochemical value; MM
>982.3Bouchoux, Buisson, et al., 2003MM
>977.4Bouchoux, Buisson, et al., 2003MM
>991.6 ± 0.2Bouchoux, Buisson, et al., 2003MM
993. ± 4.Hahn and Wesdemiotis, 2003MM
999.1Wang, Chu, et al., 1999KM results obtained from CID of complexes with secondary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM
1010.Wang, Chu, et al., 1999KM results obtained from CID of complexes with secondary amines using Fenselau/Wesdemiotis correction; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
951.1Bouchoux, Buisson, et al., 2003MM
944.5Bouchoux, Buisson, et al., 2003MM
960.8 ± 0.2Bouchoux, Buisson, et al., 2003MM

Protonation entropy at 298K

Protonation entropy (J/mol*K) Reference Comment
-83.Schroeder, Andriole, et al., 2004Protonation entropy from EKM measurements may reflect transition state rather than themochemical value; MM

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Schroeder, Andriole, et al., 2004
Schroeder, O.E.; Andriole, E.J.; Carver, K.L.; Colyer, K.E.; Poutsma, J.C., Proton affinity of lysine homologues from the extended kinetic method, J. Phys. Chem. A, 2004, 108, 326. [all data]

Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M., Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments, Int. J. Mass Spectrom., 2003, 228, 1035. [all data]

Hahn and Wesdemiotis, 2003
Hahn, I.S.; Wesdemiotis, C., Protonation Thermochemistry of beta-Alanine. An Evaluation of Proton Affinities and Entropies Determined by the Extended Kinetic Method, Int. J. Mass Spectrometry, 2003, 222, 465. [all data]

Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M., α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities, J. Phys. Chem. A., 1999, 103, 8700. [all data]


Notes

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