2-Propen-1-ol

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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C3H5O- + Hydrogen cation = 2-Propen-1-ol

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Δr1563. ± 12.kJ/molG+TSGraul, Schnute, et al., 1990gas phase; B
Δr1400. ± 50.kJ/molAcidKuhn, Fenzlaff, et al., 1988gas phase; From CH2=CHCH2OH, AP 0.9 eV; est. thermo = 2.5 eV; B
Δr1409. ± 8.4kJ/molD-EABouby, Compton, et al., 1968gas phase; EA probably 2 eV less; B
Quantity Value Units Method Reference Comment
Δr1534. ± 12.kJ/molCIDCGraul, Schnute, et al., 1990gas phase; B
Δr1380. ± 8.8kJ/molH-TSBouby, Compton, et al., 1968gas phase; EA probably 2 eV less; B

2-Propen-1-ol + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Δr-130.6 ± 1.8kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -132. ± 1. kJ/mol; At 355°K; ALS

1-Propene, 3-iodo- + Water = Hydrogen iodide + 2-Propen-1-ol

By formula: C3H5I + H2O = HI + C3H6O

Quantity Value Units Method Reference Comment
Δr-8.79kJ/molCmGellner and Skinner, 1949liquid phase; Heat of hydrolysis; ALS

1-Propene, 3-bromo- + Water = Hydrogen bromide + 2-Propen-1-ol

By formula: C3H5Br + H2O = HBr + C3H6O

Quantity Value Units Method Reference Comment
Δr-15.kJ/molCmGellner and Skinner, 1949liquid phase; Heat of hydrolysis; ALS

Propanal = 2-Propen-1-ol

By formula: C3H6O = C3H6O

Quantity Value Units Method Reference Comment
Δr-32.kJ/molEqkPolkovnikova and Lapiclus, 1974gas phase; At 300 K; ALS

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.

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Kuhn, Fenzlaff, et al., 1988
Kuhn, A.; Fenzlaff, H.-P.; Illenberger, E., Formation and Dissociation of Negative Ion Resonances in Methanol and Allyl Alcohol, J. Chem. Phys., 1988, 88, 12, 7453, https://doi.org/10.1063/1.454309 . [all data]

Bouby, Compton, et al., 1968
Bouby, L.; Compton, R.N.; Souleyrol, A., Formation d'ions negatifs dans l'alcool allylique et l'acroleine., Comptes Rendues. Acad. Sc. Paris, 1968, 266, 1250. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Gellner and Skinner, 1949
Gellner, O.H.; Skinner, H.A., Dissociation energies of carbon-halogen bonds. The bond strengths allyl-X and benzyl-X, J. Chem. Soc., 1949, 1145-1148. [all data]

Polkovnikova and Lapiclus, 1974
Polkovnikova, A.G.; Lapiclus, V.L., Calculation of the equilibrium and heat of isomerization of propylene oxide on a lithium phosphate catalyst, Neftekhimiya, 1974, 14, 113-115. [all data]


Notes

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