<i>In Situ</i> FT-IR Studies on the Urethane Reaction Kinetics of 3-Methyl-1,3-Butanediol in Nitrogen-Contained Solvent

Phenyl isocyanate is used to react with 1,3-butanediol at different temperatures. Toluene is used as solvent and 1,4-diazabicyclo[2,2,2]octane is used as catalyst. In-situ FT-IR is used to monitor the reaction to work out rate constant, Arrhenius equation and Eyring equation. The urethane reaction has been found to be a second order reaction, and the rate constant seems different between initial stage and final stage. The activation energy (Ea), activation enthalpy (ΔH) and activation entropy (ΔS) for the urethane reaction of primary hydroxyl group are calculated out, which are 26.4 kJ•mol-1, 23.6 kJ•mol-1and -186.6 J•mol-1•k-1, respectively. They are very useful to reveal the reaction mechanism.

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In Situ FT-IR Studies on the Catalytic Reaction Kinetics of 1,2-Propanediol with Phenyl Isocyanate

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.450-451.131 ◽

2012 ◽

Vol 450-451 ◽

pp. 131-134

Author(s):

Peng Fei Yang

Keyword(s):

Rate Constant ◽

Arrhenius Equation ◽

Phenyl Isocyanate ◽

Activation Entropy ◽

Ir Studies ◽

Initial Stage ◽

Different Temperatures ◽

Ft Ir ◽

Kinetics Of

Phenyl isocyanate is used to react with 1,2-propanediol in different temperatures. Toluene is used as solvent and triethylamine is used as catalyst. In-situ FT-IR is used to monitor the reaction to work out rate constant, Arrhenius equation and Eyring equation. The urethane reaction has been found to be a second order reaction, and the rate constant seems different between initial stage and final stage. The activation energy (Ea), activation enthalpy (ΔH) and activation entropy (ΔS) for the urethane reaction are calculated out, which are 74.1 kJ•mol-1, 71.3 kJ•mol-1 and -30.5 J•mol-1•k-1, respectively. They are very useful to reveal the reaction mechanism.

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In Situ FT-IR Studies on the Urethane Reaction Kinetics of 3-Methyl-1,3-Butanediol in Nitrogen-Contained Solvent

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.446-449.1743 ◽

2012 ◽

Vol 446-449 ◽

pp. 1743-1746

Author(s):

Peng Fei Yang

Keyword(s):

Rate Constant ◽

Phenyl Isocyanate ◽

Hydroxyl Group ◽

Activation Entropy ◽

Ir Studies ◽

Initial Stage ◽

Different Temperatures ◽

Ft Ir ◽

Kinetics Of

Phenyl isocyanate is used to react with 3-methyl-1,3-butanediol at different temperatures. Dimethylformamide is used as solvent. In-situ FT-IR is used to monitor the reaction to work out rate constant, Arrhenius equation and Eyring equation. The urethane reaction has been found to be a second order reaction, and the rate constant seems different between initial stage and final stage. The activation energy (Ea), activation enthalpy (ΔH) and activation entropy (ΔS) for the urethane reaction of tertiary hydroxyl group are calculated out, which are 75.2 kJ•mol-1, 72.4 kJ•mol-1and -44.8 J•mol-1•k-1, respectively. They are very useful to reveal the reaction mechanism.

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In Situ FT-IR Studies on the Urethane Reaction Kinetics of 1,3-Butanediol in Nitrogen-Contained Solvent

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.472-475.1911 ◽

2012 ◽

Vol 472-475 ◽

pp. 1911-1914

Author(s):

Peng Fei Yang

Keyword(s):

Rate Constant ◽

Phenyl Isocyanate ◽

Hydroxyl Group ◽

Activation Entropy ◽

Ir Studies ◽

Initial Stage ◽

Different Temperatures ◽

Ft Ir ◽

Kinetics Of

Phenyl isocyanate is used to react with 1,3-butanediol at different temperatures. Dimethylformamide is used as solvent. In-situ FT-IR is used to monitor the reaction to work out rate constant, Arrhenius equation and Eyring equation. The urethane reaction has been found to be a second order reaction, and the rate constant seems different between initial stage and final stage. The activation energy (Ea), activation enthalpy (ΔH) and activation entropy (ΔS) for the urethane reaction of primary hydroxyl group are calculated out, which are 90.9 kJ•mol-1, 88.2 kJ•mol-1and 20.2 J•mol-1•k-1, respectively. They are very useful to reveal the reaction mechanism.

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