Molecular formula

C9 H18 O3

Molecular weight / g mol-1

174,2

CAS number

Temperature dependance: at constant pressure

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

A/s^-1

4,84 E14

E_a/kJ mol^-1

132,1 ± 3,2

valid for temperature range / °C

135 - 165

determined at p/bar

2000

Pressure dependance at constant temperature

(∂ln k/∂p)_T = - ΔV^‡/(R*T)

ΔV^‡/cm³ mol^-1

4,0 ± 1,1

valid for pressure range / bar

100 - 2500

determined at T/°C

150

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 = 4,84E14 * exp[-(15792 + {0,0481 – 0 * p/bar}*p/bar)/(T/K)]

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

135 – 165 ; 100 - 2500

representing experimental data better than/%

3

Reference

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

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