ABSTRACT
Vapor Pressure (Pa at 25°C or as indicated and reported temperature dependence equations. Additional data at other temperatures designated * are compiled at the end of this section): 100847* (–24.91°C, static method-manometer, measured range –78.22 to –24.91°C, Kennedy et al. 1941) 678090* (calculated-Antoine eq. regression, temp range –115.7 to –23.7°C, Stull 1947) log (P/mmHg) = [–0.2185 × 5409.8/(T/K)] + 7.585479; temp range –115.7 to 125.2°C (Antoine eq., Weast 1972-73) 593300 (Ambrose et al. 1976, Riddick et al. 1986) log (P/kPa) = 6.0823 – 882.52/{(T/K) + 31.90} (Antoine eq., Ambrose et al. 1976) log (P/mmHg) = 6.97603 – 889.3645/(241.96 + t/°C); temp range –71 to –25°C (Antoine eq., Dean 1985, 1992) log (P/kPa) = 5.44136 – 1025.56/(256.05 + t/°C), temp range not specified (Antoine eq., Riddick et al. 1986) 575530, 593340 (calculated-Antoine eq., Stephenson & Malanowski 1987) log (PL/kPa) = 6.44136 – 1025.56/(–17.1 + T/K); temp range 183-265 K (Antoine eq.-I, Stephenson &
Malanowski 1987) log (PL/kPa) = 6.30358 – 982.46/(–20.894 + T/K), temp range not specified (Antoine eq.-II, Stephenson &
Malanowski 1987) log (PL/kPa) = 6.36332 – 995.747/(–19.864 + T/K); temp range 180-249 K (Antoine eq.-III, Stephenson &
Malanowski 1987)
O
L Malanowski 1987)
log (PL/kPa) = 6.28318 – 987.484/(–16.813 + T/K); temp range 293-360 K (Antoine eq.-V, Stephenson & Malanowski 1987)
log (PL/kPa) = 7.48877 – 1971.127/(122.787 + T/K); temp range 349-400 K (Antoine eq.-VI, Stephenson & Malanowski 1987)
374000* (10°C, vapor-liquid equilibrium, measured range 203.15-395 K, Noles & Zollweg 1992) log (P/mmHg) = 20.2699 – 1.5914 × 103/(T/K) – 4.653·log (T/K) – 1.3178 × 10-10·(T/K) + 2.5623 × 10-6·(T/K)2;
temp range 132-400 K (vapor pressure eq., Yaws et al. 1994) 510000* (20.5°C, vapor-liquid equilibrium, measured range 0.51-120.12°C, Jónasson et al. 1995) 589100 (25.02°C, vapor-liquid equilibrium, measured range 283.12-313.22 K, Bobbo et al. 2000) 596210* (25.022°C, static-pressure sensor, measured range 233-399 K, data fitted to Wagner type eq., Wu
et al. 2004)
Henry’s Law Constant (Pa m3/mol at 25°C): 101.0 (calculated-1/KAW, CW/CA, reported as exptl., Hine & Mookerjee 1975) 49.5, 105.7 (calculated-group contribution, calculated-bond contribution method, Hine & Mookerjee 1975)
Octanol/Water Partition Coefficient, log KOW: 0.10 (shake flask-GC, Leo et al. 1975; Hansch & Leo 1987) 0.10 (recommended, Sangster 1989) 0.10 (recommended, Hansch et al. 1995)
Octanol/Air Partition Coefficient, log KOA: 1.37 (calculated-Soct and vapor pressure P, Abraham et al. 2001)
Bioconcentration Factor, log BCF:
Sorption Partition Coefficient, log KOC:
Environmental Fate Rate Constants, k, and Half-Lives, t½: Volatilization: Photolysis: Oxidation: rate constant k, for gas-phase second order rate constants, kOH for reaction with OH radical, kNO3 with NO3
radical and kO3 with O3 or as indicated, *data at other temperatures and/or the Arrhenius expression see reference: kO(3P) = 5.7 × 10-14 cm3 molecule-1 s-1 for the reaction with O(3P) at room temp. (Gaffney & Levine 1979) kOH* = 3.50 × 10-12 cm3 molecule-1 s-1 at 298.9 K, measured range 298-505 K (flash photolysis-resonance
fluorescence, Perry et al. 1977) kOH(calc) = 2.4 × 10-12 cm3 molecule-1 s-1, kOH(obs.) = 2.98 × 10-12 cm3 molecule-1 s-1 at room temp. (SAR
structure-activity relationship, Atkinson 1985) kNO3 ≤ 3.0 × 10-15 cm3 molecule-1 s-1 at 298 ± 2 K (flash photolysis-visible absorption, Wallington et al.
