Molecular formula

C13 H26 O3

Molecular weight / g mol-1

230,3

CAS number

686-31-7

Temperature dependance: at constant pressure

k(T)_p/s^-1 = A * exp(-E_a/R*T)

A/s^-1

7,27 E14

E_a/kJ mol^-1

130,7 ± 3,0

valid for temperature range / °C

125 - 155

determined at p/bar

500

Pressure dependance at constant temperature

(∂ln k/∂p)_T = - ΔV^‡/(R*T)

ΔV^‡/cm³ mol^-1

3,7 ± 1,5

valid for pressure range / bar

200 - 2000

determined at T/°C

140

Temperature and pressure dependance

k(p,T)/s^-1 = A * exp[-(E_{a, 0 bar} + ΔV^‡ * p/bar)/(R*T/K)]

k(p,T)/s^-1 = 7,27E14 * exp[-(130,5 + 2,8 * p/bar)/(R*T/K)]

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

125 – 155, 200 - 2000

representing experimental data better than/%

3,6

Reference

Z. Phys. Chem., 217, 1169-1191 (2003)

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