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Density: 0.8±0.1 g/cm3
Boiling Point: 97.3±0.0 °C at 760 mmHg
Vapour Pressure: 24.4±0.3 mmHg at 25°C
Enthalpy the Vaporization: 39.3±6.0 kJ/mol
Flash Point: 16.7±0.0 °C
Index of Refraction: 1.412
Molar Refractivity: 21.8±0.3 cm3
#H bond acceptors: 1
#H link donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0

ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.63
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.63
Polar surface ar Area: 20 Å2
Polarizability: 8.6±0.5 10-24cm3
Surface Tension: 24.3±3.0 dyne/cm
Molar Volume: 87.5±3.0 cm3

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

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 0.63 boil Pt, melting Pt, Vapor press Estimations (MPBPWIN v1.42): boil Pt (deg C): 89.94 (Adapted Stein & Brown method) melting Pt (deg C): -77.70 (Mean or weight MP) VP(mm Hg,25 deg C): 24.7 (Mean VP of Antoine & serial methods) BP (exp database): 96-97 deg C Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.259e+005 log Kow used: 0.63 (estimated) no-melting pt equation supplied Water Sol calculation from Fragments: Wat sol (v1.01 est) = 1.0355e+005 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law continuous (25 deg C) : Bond an approach : 7.44E-006 atm-m3/mole group Method: Incomplete Henrys LC : 1.861E-005 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 0.63 (KowWin est) log in Kaw used: -3.517 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 4.147 log in Koa (experimental database): none Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8719 Biowin2 (Non-Linear Model) : 0.9570 experienced Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 3.1998 (weeks ) Biowin4 (Primary survey Model) : 3.8732 (days ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.6271 Biowin6 (MITI Non-Linear Model): 0.8105 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.5029 prepared Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with current estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 3.11E+003 Pa (23.3 mm Hg) log Koa (Koawin est ): 4.147 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 9.66E-010 Octanol/air (Koa) model: 3.44E-009 portion sorbed to airborne particulates (phi): Junge-Pankow design : 3.49E-008 Mackay version : 7.73E-008 Octanol/air (Koa) model: 2.75E-007 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate constant = 33.3973 E-12 cm3/molecule-sec Half-Life = 0.320 days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.843 Hrs Ozone Reaction: overall Ozone Rate consistent = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 work (at 7E11 mol/cm3) Half-Life = 22.920 Hrs portion sorbed come airborne particulates (phi): 5.61E-008 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.048 log in Koc: 0.311 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be approximated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log BCF indigenous regression-based technique = 0.500 (BCF = 3.162) log Kow used: 0.63 (estimated) Volatilization from Water: Henry LC: 7.44E-006 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from version River: 67.69 hours (2.82 days) Half-Life from version Lake : 809.7 hours (33.74 days) removal In Wastewater Treatment: complete removal: 2.27 percent full biodegradation: 0.09 percent full sludge adsorption: 1.76 percent total to Air: 0.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 0.822 5.29 1000 Water 46.6 360 1000 soil 52.5 720 1000 Sediment 0.0886 3.24e+003 0 Persistence Time: 330 hr

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