Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Methylparaben

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, References, Notes

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 - E.P. Hunter and S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess

QuantityValueUnitsMethodReferenceComment
Proton affinity (review)863.4kJ/molN/AHunter and Lias, 1998HL
QuantityValueUnitsMethodReferenceComment
Gas basicity832.5kJ/molN/AHunter and Lias, 1998HL

De-protonation reactions

C8H7O3- + Hydrogen cation = Methylparaben

By formula: C8H7O3- + H+ = C8H8O3

QuantityValueUnitsMethodReferenceComment
Deltar1410. ± 8.8kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
QuantityValueUnitsMethodReferenceComment
Deltar1382. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, Gas phase ion energetics data, Notes

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. [doi:10.1063/1.556018] [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]


Notes

Go To: Top, Gas phase ion energetics data, References