ABSTRACT
Vapor Pressure (Pa at 25°C and reported temperature dependence equations. Additional data at other temperatures designated * are compiled at the end of this section): 83260* (isoteniscope method, measured range 21-31.7°C, Nelson 1928) log (P/mmHg) = 7.2202 – 1320.8/(T/K); temp range 21-31.7°C, Nelson 1928) 53329* (16°C, summary of literature data, temp range –74.2 to 213°C, Stull 1947) log (P/mmHg) = [–0.2185 × 7027.8/(T/K)] + 7.852144; temp range –74.2 to 213°C (Antoine eq., Weast 1972-73) 63980, 93310 (20°C, 30°C, Verschueren 1983) 80840 (calculated-Antoine eq., Boublik et al. 1984) log (P/kPa) = 2.11093 – 1.573/(–17.263 + t/°C), temp range: 21-31.7°C (Antoine eq. from reported exptl. data,
Boublik et al. 1984) 83440 (calculated-Antoine eq., Dean 1985) log (P/mmHg) = 3.207 – 3.02/(–11.9 + t/°C), temp range: 21-32°C (Antoine eq., Dean 1985, 1992) 78060 (selected lit., Riddick et al. 1986) log (P/kPa) = 6.29529 – 1125.2/(174.2 + t/°C), temp range not specified (Antoine eq., Riddick et al. 1986) 78600 (interpolated-Antoine eq.-I, Stephenson & Malanowski 1987)
O
H O
L Malanowski 1987)
log (PL/kPa) = 6.39684 – 1196.323/(–32.629 + T/K); temp range 305-443 K (Antoine eq.-II, Stephenson & Malanowski 1987)
78070 (Daubert & Danner 1989) log (P/mmHg) = 28.9576 – 2.3582 × 103/(T/K) –7.4848·log(T/K) + 7.4384 × 10-10·(T/K) + 2.7013 × 10-6·(T/K)2,
temp range 174-487 K (vapor pressure eq., Yaws 1994) 114881 (35°C, vapor-liquid equilibrium VLE data, Alderson et al. 2003)
Henry’s Law Constant (Pa·m3/mol at 25°C): 22.61 (exptl., Hine & Mookerjee 1975) 20.15, 17.96 (calculated-group contribution, calculated-bond contribution, Hine & Mookerjee 1975) 15.64 (calculated-MCI χ, Nirmalakhandan & Speece 1988) 26.02 (calculated-P/C, Hoff et al. 1993)
Octanol/Water Partition Coefficient, log KOW: –0.010 (calculated-intrinsic molar volume VI and solvatochromic parameters, Leahy 1986) –0.264 (estimated, Howard 1993) 0.03 (recommended, Hansch et al. 1995)
Octanol/Air Partition Coefficient, log KOA: 1.75 (head-space GC, Abraham et al. 2001)
Bioconcentration Factor, log BCF: –0.222 (estimated-S, Lyman et al. 1990)
Sorption Partition Coefficient, log KOC: 0.699 (soil, estimated-S, Lyman et al. 1990)
Environmental Fate Rate Constants, k, or Half-Lives, t½: Volatilization: based on Henry’s law constant, t½ ~ 5.3 h from a model river of one meter deep flowing at 1 m/s
with a wind velocity of 3 m/s (Lyman et al. 1990; quoted, Howard 1993). 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 Arrhenius equation see reference: kOH = (2.27 ± 0.34) × 10-13 cm3 molecule-1 s-1 at 296 K, measured range 240-440 K (flash photolysis-
resonance fluorescence, Wallington et al. 1988a, quoted, Atkinson 1989) kOH(calc) = 0.43 × 10-12 cm3 molecule-1 s-1 (molecular orbital calculations, Klamt 1996)
Hydrolysis: aqueous base-catalyzed hydrolysis k = 36.6 M-1 s-1 at 25°C corresponds to t½ = 21.9 d, 2.19 d, 9.1 h and 0.91 h at respective pHs of 6, 7, 8, and 9 (Mabey & Mill 1978; quoted, Howard 1993)
Biodegradation: Biotransformation: Bioconcentration, Uptake (k1) and Elimination (k2) Rate Constants:
Half-Lives in the Environment: Air: estimated t½ = 74 d, based on experimental reaction rate constant for the vapor-phase reaction with
photochemically produced hydroxyl radical in the atmosphere at 23°C (Atkinson 1989; quoted, Howard 1993).
