Molecular formula

C8 H16 O3

Molecular weight / g mol-1

160,2

CAS number

Temperature dependance: at constant pressure

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

A/s^-1

25,3 E14

E_a/kJ mol^-1

144,8 ± 2,9

valid for temperature range / °C

145 - 180

determined at p/bar

500

Pressure dependance at constant temperature

(∂ln k/∂p)_T = - ΔV^‡/(R*T)

ΔV^‡/cm³ mol^-1

13,6 – 3,19 E-3 * p/bar

valid for pressure range / bar

200 - 2000

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 = 2,78E15 * exp[-(17381 + {0,162 – 1,95E-5 * p/bar}*p/bar)/(T/K)]

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

145 - 180 ; 200 - 2000

representing experimental data better than/%

2

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