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Density: 1.2±0.1 g/cm3
Boiling Point: 265.0±0.0 °C in ~ 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg in ~ 25°C
Enthalpy that Vaporization: 53.1±3.0 kJ/mol
Flash Point: 189.5±9.6 °C
Index the Refraction: 1.616
Molar Refractivity: 43.7±0.3 cm3
#H shortcut acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule the 5 Violations: 0

ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 28.16
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar surface ar Area: 37 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

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

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 2.07 log in Kow (Exper. Database match) = 2.13 Exper. Ref: Hansch,C et al. (1995) log in Kow (Exper. Database match) = 2.13 Exper. Ref: Hansch,C et al. (1995) boil Pt, melt Pt, Vapor press Estimations (MPBPWIN v1.42): boiling Pt (deg C): 287.54 (Adapted Stein & Brown method) melting Pt (deg C): 69.48 (Mean or load MP) VP(mm Hg,25 deg C): 0.000161 (Modified serial method) MP (exp database): 133 deg C BP (exp database): 300 deg C VP (exp database): 5.00E-05 mm Hg in ~ 25 deg C Subcooled liquid VP: 0.000585 mm Hg (25 deg C, exp database VP ) Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 2911 log in Kow used: 2.13 (expkow database) no-melting pt equation supplied Water solar (Exper. Database match) = 546 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water solar (Exper. Database match) = 570 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol estimate from Fragments: Wat solar (v1.01 est) = 863.21 mg/L Wat solar (Exper. Database match) = 546.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Wat solar (Exper. Database match) = 570.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law constant (25 deg C) : Bond technique : 1.29E-008 atm-m3/mole group Method: 2.03E-009 atm-m3/mole Exper Database: 1.71E-08 atm-m3/mole Henrys LC : 1.078E-008 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.13 (exp database) log Kaw used: -6.155 (exp database) log Koa (KOAWIN v1.10 estimate): 8.285 log in Koa (experimental database): no one Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8778 Biowin2 (Non-Linear Model) : 0.9660 experienced Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 3.2584 (days-weeks ) Biowin4 (Primary survey Model) : 4.0244 (days ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.5060 Biowin6 (MITI Non-Linear Model): 0.5102 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.6168 prepared Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 0.078 Pa (0.000585 mm Hg) log in Koa (Koawin est ): 8.285 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 3.85E-005 Octanol/air (Koa) model: 4.73E-005 portion sorbed come airborne particulates (phi): Junge-Pankow model : 0.00139 Mackay design : 0.00307 Octanol/air (Koa) model: 0.00377 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate constant = 22.0932 E-12 cm3/molecule-sec all at once OH Rate consistent = 24.7532 E-12 cm3/molecule-sec Half-Life = 5.810 Hrs (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.185 Hrs (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: as whole Ozone Rate constant = 1.050000 E-17 cm3/molecule-sec in its entirety Ozone Rate continuous = 2.100000 E-17 cm3/molecule-sec Half-Life = 1.091 work (at 7E11 mol/cm3) Half-Life = 13.097 Hrs (at 7E11 mol/cm3) fraction sorbed come airborne particulates (phi): 0.00223 (Junge,Mackay) Note: the sorbed fraction may be resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.29 log Koc: 1.684 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants deserve to NOT be approximated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log BCF indigenous regression-based an approach = 0.500 (BCF = 3.162) log in Kow used: 2.13 (expkow database) Volatilization native Water: Henry LC: 1.71E-008 atm-m3/mole (Henry experimental database) Half-Life from version River: 4.168E+004 hrs (1737 days) Half-Life from version Lake : 4.548E+005 hours (1.895E+004 days) removed In Wastewater Treatment: total removal: 2.38 percent full biodegradation: 0.10 percent complete sludge adsorption: 2.29 percent complete to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: fixed Amount Half-Life Emissions (percent) (hr) (kg/hr) air 0.368 8.05 1000 Water 24.4 208 1000 soil 75.1 416 1000 Sediment 0.0896 1.87e+003 0 Persistence Time: 376 hr

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