Molecular formula

C7 H14 O3

Molecular weight / g mol-1

146,2

Temperature dependance: at constant pressure

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

A/s^-1

14,8 E14

E_a/kJ mol^-1

141,7 ± 3,0

valid for temperature range / °C

150 - 185

determined at p/bar

500

Pressure dependance at constant temperature

(∂ln k/∂p)_T = - ΔV^‡/(R*T)

ΔV^‡/cm³ mol^-1

12,7 ± 1,0

valid for pressure range / bar

250 - 2000

determined at T/°C

170

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 = 1,52E15 * exp[-(141,2 + 12,5 * p/bar)/(R*T/K)]

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

150 – 185 ; 250 - 2000

representing experimental data better than/%

2,4

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