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| Density: | 1.3±0.1 g/cm3 |
| Boiling Point: | 93.9±0.0 °C in ~ 760 mmHg |
| Vapour Pressure: | 55.2±0.1 mmHg in ~ 25°C |
| Enthalpy the Vaporization: | 32.0±3.0 kJ/mol |
| Flash Point: | 1.1±0.0 °C |
| Index that Refraction: | 1.470 |
| Molar Refractivity: | 28.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H shortcut donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule that 5 Violations: | 0 |
| ACD/LogP: | 2.68 |
| ACD/LogD (pH 5.5): | 2.59 |
| ACD/BCF (pH 5.5): | 54.43 |
| ACD/KOC (pH 5.5): | 608.29 |
| ACD/LogD (pH 7.4): | 2.59 |
| ACD/BCF (pH 7.4): | 54.43 |
| ACD/KOC (pH 7.4): | 608.29 |
| Polar surface Area: | 0 Å2 |
| Polarizability: | 11.2±0.5 10-24cm3 |
| Surface Tension: | 25.3±3.0 dyne/cm |
| Molar Volume: | 101.2±3.0 cm3 |
Predicted data is produced using the US eco-friendly Protection Agency’s EPISuite™
log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 2.48 boil Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): cook Pt (deg C): 102.82 (Adapted Stein & Brown method) melt Pt (deg C): -75.59 (Mean or weight MP) VP(mm Hg,25 deg C): 52.9 (Mean VP the Antoine & serial methods) BP (exp database): 95 deg C VP (exp database): 5.69E+01 mm Hg in ~ 25 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 663.9 log in Kow used: 2.48 (estimated) no-melting pt equation provided Water Sol calculation from Fragments: Wat solar (v1.01 est) = 3874 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law continuous (25 deg C) : Bond method : 3.02E-002 atm-m3/mole team Method: Incomplete Henrys LC : 1.415E-002 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.48 (KowWin est) log Kaw used: 0.092 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 2.388 log in Koa (experimental database): none Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6371 Biowin2 (Non-Linear Model) : 0.0338 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.9298 (weeks ) Biowin4 (Primary inspection Model) : 3.6883 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.4143 Biowin6 (MITI Non-Linear Model): 0.1346 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.9625 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 7.59E+003 Pa (56.9 mm Hg) log in Koa (Koawin est ): 2.388 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.95E-010 Octanol/air (Koa) model: 6E-011 portion sorbed to airborne particulates (phi): Junge-Pankow version : 1.43E-008 Mackay design : 3.16E-008 Octanol/air (Koa) model: 4.8E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate consistent = 22.8660 E-12 cm3/molecule-sec Half-Life = 0.468 job (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.613 Hrs Ozone Reaction: as whole Ozone Rate consistent = 1.035125 E-17 cm3/molecule-sec Half-Life = 1.107 days (at 7E11 mol/cm3) Half-Life = 26.571 Hrs portion sorbed come airborne particulates (phi): 2.3E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 log in Koc: 1.831 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log BCF from regression-based technique = 1.213 (BCF = 16.32) log Kow used: 2.48 (estimated) Volatilization indigenous Water: Henry LC: 0.0302 atm-m3/mole (estimated by bond SAR Method) Half-Life from model River: 1.208 hours Half-Life from model Lake : 110.6 hours (4.609 days) removal In Wastewater Treatment: full removal: 92.18 percent complete biodegradation: 0.03 percent complete sludge adsorption: 1.11 percent full to Air: 91.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 10.4 7.89 1000 Water 77.5 360 1000 soil 11.6 720 1000 Sediment 0.523 3.24e+003 0 Persistence Time: 79.7 hr
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