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Author(s):   Al-Awadi, N.; Kaul, K.; El-Dusouqui, O. M. E.
Title:   Kinetics and mechanism of thermal gas-phase elimination of alpha-substituted carboxylic acids: role of relative basicity of alpha-substituents and acidity of incipient proton
Journal:   J. Phys. Org. Chem.
Volume:   13
Page(s):   499 - 504
Year:   2000
Reference type:   Journal article
Squib:   2000ALA/KAU499-504

Reaction:   2-phenoxy-1-propanol → Products
Reaction order:   1
Temperature:   740 - 792 K
Rate expression:   1.86x1013 [±5.4x1012 s-1] e-244400 [±1500 J/mole]/RT
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   Other
Results are from sealed tube experiments using ppm level substrate in solvent. Typical stated conditions are 0.2 ml acetonitrile solvent in 9 ml sealed tube. Authors do not indicate pressures, but the maximum calculated pressure (Ideal Gas Law) is about 19 bar. This is high enough that rates should be close to their high pressure limits.

Rate constants were determined by following disappearance of the starting substrate. Analytical techniques were said to involve GC-MS, FT-IR, and HPLC, but procedures are not clearly delineated. Authors do not specify any products of the reaction, but the rate parameters are consistent with a molecular reaction, presumably involving elimination of phenol and/or water.

The uncertainties are from the statistical analyses, but the degree of confidence or number of standard uncertainties is not specified.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
740 1.04E-4
750 1.77E-4
775 6.27E-4
792 1.42E-3