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Density: 0.7±0.1 g/cm3
Boiling Point: 67.1±3.0 °C in ~ 760 mmHg
Vapour Pressure: 159.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.6±0.8 kJ/mol
Flash Point: -23.3±0.0 °C
Index that Refraction: 1.406
Molar Refractivity: 29.7±0.3 cm3
#H bond acceptors: 0
#H shortcut donors: 0
#Freely Rotating Bonds: 1
#Rule that 5 Violations: 0

ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.45
ACD/KOC (pH 5.5): 1440.19
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.45
ACD/KOC (pH 7.4): 1440.19
Polar surface ar Area: 0 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 19.5±3.0 dyne/cm
Molar Volume: 121.0±3.0 cm3

Predicted data is produced using the US eco-friendly Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 3.13 cook Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boil Pt (deg C): 72.41 (Adapted Stein & Brown method) melt Pt (deg C): -103.10 (Mean or weighted MP) VP(mm Hg,25 deg C): 159 (Mean VP the Antoine & serial methods) MP (exp database): -135 deg C BP (exp database): 67.3 deg C VP (exp database): 1.58E+02 mm Hg at 25 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 79.26 log Kow used: 3.13 (estimated) no-melting pt equation supplied Water Sol calculation from Fragments: Wat solar (v1.01 est) = 123.56 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond technique : 5.00E-001 atm-m3/mole group Method: 3.88E-001 atm-m3/mole Henrys LC : 2.221E-001 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 3.13 (KowWin est) log Kaw used: 1.311 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 1.819 log Koa (experimental database): no one Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8598 experienced Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 3.0132 (weeks ) Biowin4 (Primary survey Model) : 3.7263 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.5186 Biowin6 (MITI Non-Linear Model): 0.6485 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.5498 ready Biodegradability Prediction: correct Hydrocarbon Biodegradation (BioHCwin v1.01): log in BioHC Half-Life (days) : 0.2589 BioHC Half-Life (days) : 1.8150 Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 2.11E+004 Pa (158 mm Hg) log Koa (Koawin est ): 1.819 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 1.42E-010 Octanol/air (Koa) model: 1.62E-011 fraction sorbed come airborne particulates (phi): Junge-Pankow version : 5.14E-009 Mackay version : 1.14E-008 Octanol/air (Koa) model: 1.29E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate continuous = 88.2733 E-12 cm3/molecule-sec Half-Life = 0.121 work (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.454 Hrs Ozone Reaction: all at once Ozone Rate continuous = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 job (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction v Nitrate Radicals might Be Important! portion sorbed to airborne particulates (phi): 8.27E-009 (Junge,Mackay) Note: the sorbed fraction may it is in resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.9 log Koc: 2.096 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants deserve to NOT be approximated for this structure! Bioaccumulation estimates from log in Kow (BCFWIN v2.17): log in BCF from regression-based method = 1.709 (BCF = 51.23) log in Kow used: 3.13 (estimated) Volatilization indigenous Water: Henry LC: 0.5 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from design River: 0.9372 hours (56.23 min) Half-Life from version Lake : 87.15 hrs (3.631 days) removed In Wastewater therapy (recommended maximum 95%): full removal: 99.49 percent total biodegradation: 0.03 percent complete sludge adsorption: 3.29 percent total to Air: 96.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 0.925 0.524 1000 Water 92.8 360 1000 floor 4.33 720 1000 Sediment 1.98 3.24e+003 0 Persistence Time: 66.2 hr

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