tert butyl peroxy acetate

Molecular formula

C6 H12 O3

Molecular weight / g mol-1

132,2

CAS number

107-71-1

Temperature dependance: at constant pressure

k(T)p/s-1 = A * exp(-Ea/R*T)

A/s-1

3,35 E15

5,49 E15

7,05 E15

Ea/kJ mol-1

145,8 ± 3,6

148,3 ± 2,5

150,4 ± 1,7

valid for temperature range / °C

120 - 175

120 – 185

120 - 190

determined at p/bar

500

1000

2000

Pressure dependance at constant temperature

(∂ln k/∂p)T = - ΔV/(R*T)

ΔV/cm3 mol-1

21,59 – 3,88 E-3 * p/bar

valid for pressure range / bar

100 - 2500

determined at T/°C

170

Temperature and pressure dependance

k(p,T)/s-1 = C1 * exp[-(C2 + {C3 -C4 p/bar}*p/bar)/(T/K)]

 

k(p,T)/s-1 = 6,78E15 * exp[-(17714 + {0,2471 – 3,336E-5 * p/bar}*p/bar)/(T/K)]

valid for the temperature/°C and pressure/bar range

120 - 190 ; 100 - 2500

representing experimental data better than/%

5

 

 

Reference

Z. Phys. Chem., 214, 583-607 (2000)

Z. Phys. Chem. 210, 199-221 (1999)

 

 


IR spectrum (2600 – 1600 cm -1) 0.01 molar in n-heptane, n-heptane spectrum subtracted

 

Raman spectrum (1500 – 200 cm-1) 1 molar in n-heptane