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1,4-Butanediol

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Reaction thermochemistry 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C4H9O2- + Hydrogen cation = 1,4-Butanediol

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Deltar356.1 ± 2.5kcal/molG+TSCrowder and Bartmess, 1993gas phase; «DELTA»Gacid at 80°C
Quantity Value Units Method Reference Comment
Deltar354.6 ± 2.0kcal/molIMRECrowder and Bartmess, 1993gas phase; «DELTA»Gacid at 80°C
Deltar360.20 ± 0.30kcal/molCIDCHouriet, Tabet, et al., 1984gas phase; value altered from reference due to change in acidity scale

(Chlorine anion bullet 1,4-Butanediol) + 1,4-Butanediol = (Chlorine anion bullet 21,4-Butanediol)

By formula: (Cl- bullet C4H10O2) + C4H10O2 = (Cl- bullet 2C4H10O2)

Quantity Value Units Method Reference Comment
Deltar21.20 ± 0.80kcal/molTDAsZhang, Beglinger, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Deltar10.6 ± 1.0kcal/molTDAsZhang, Beglinger, et al., 1995gas phase

Chlorine anion + 1,4-Butanediol = (Chlorine anion bullet 1,4-Butanediol)

By formula: Cl- + C4H10O2 = (Cl- bullet C4H10O2)

Quantity Value Units Method Reference Comment
Deltar30.2 ± 1.7kcal/molTDAsZhang, Beglinger, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Deltar17.5 ± 1.0kcal/molTDAsZhang, Beglinger, et al., 1995gas phase

References

Go To: Top, Reaction thermochemistry data, Notes

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

Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J., The Gas Phase Acidities of Diols, J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y . [all data]

Houriet, Tabet, et al., 1984
Houriet, R.; Tabet, J.-C.; Tchapla, A., Gas-phase Acidities of Aliphatic and Cyclic Diols, Spectros. Int. J., (1984),, 1984, 3, 132.. [all data]

Zhang, Beglinger, et al., 1995
Zhang, W.; Beglinger, C.; Stone, J.A., High-pressure mass spectrometric study of the gas-phase association of Cl- with alpha,omega-diols, J. Phys. Chem., 1995, 99, 30, 11673, https://doi.org/10.1021/j100030a009 . [all data]


Notes

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