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3-chloro-3-methylhexane an ext more
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 135.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 9.7±0.2 mmHg in ~ 25°C |
| Enthalpy that Vaporization: | 35.7±3.0 kJ/mol |
| Flash Point: | 33.5±16.5 °C |
| Index that Refraction: | 1.419 |
| Molar Refractivity: | 39.3±0.3 cm3 |
| #H shortcut acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule that 5 Violations: | 0 |
| ACD/LogP: | 3.79 |
| ACD/LogD (pH 5.5): | 3.31 |
| ACD/BCF (pH 5.5): | 192.49 |
| ACD/KOC (pH 5.5): | 1502.40 |
| ACD/LogD (pH 7.4): | 3.31 |
| ACD/BCF (pH 7.4): | 192.49 |
| ACD/KOC (pH 7.4): | 1502.40 |
| Polar surface Area: | 0 Å2 |
| Polarizability: | 15.6±0.5 10-24cm3 |
| Surface Tension: | 24.0±3.0 dyne/cm |
| Molar Volume: | 155.5±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) = 3.92 boiling Pt, melt Pt, Vapor press Estimations (MPBPWIN v1.42): boil Pt (deg C): 110.24 (Adapted Stein & Brown method) melt Pt (deg C): -60.73 (Mean or weight MP) VP(mm Hg,25 deg C): 24 (Mean VP of Antoine & serial methods) Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 39.41 log in Kow used: 3.92 (estimated) no-melting pt equation offered Water Sol calculation from Fragments: Wat sol (v1.01 est) = 86.897 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond an approach : 4.49E-002 atm-m3/mole group Method: Incomplete Henrys LC : 1.079E-001 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 3.92 (KowWin est) log in Kaw used: 0.264 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 3.656 log Koa (experimental database): none Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3881 Biowin2 (Non-Linear Model) : 0.0773 professional Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.5163 (weeks-months) Biowin4 (Primary survey Model) : 3.3994 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.5297 Biowin6 (MITI Non-Linear Model): 0.4366 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): 0.3264 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with current estimation method! Sorption come aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 3.01E+003 Pa (22.6 mm Hg) log in Koa (Koawin est ): 3.656 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.96E-010 Octanol/air (Koa) model: 1.11E-009 fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.6E-008 Mackay version : 7.96E-008 Octanol/air (Koa) model: 8.89E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: all at once OH Rate consistent = 3.7022 E-12 cm3/molecule-sec Half-Life = 2.889 work (12-hr day; 1.5E6 OH/cm3) Half-Life = 34.669 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed to airborne particulates (phi): 5.78E-008 (Junge,Mackay) Note: the sorbed portion may be resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 354 log Koc: 2.549 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : complete Kb because that pH > 8 at 25 deg C : 2.758E-015 L/mol-sec Kb Half-Life in ~ pH 8: 7.963E+012 year Kb Half-Life at pH 7: 7.963E+013 year Bioaccumulation approximates from log Kow (BCFWIN v2.17): log BCF indigenous regression-based method = 2.320 (BCF = 208.9) log Kow used: 3.92 (estimated) Volatilization indigenous Water: Henry LC: 0.0449 atm-m3/mole (estimated by shortcut SAR Method) Half-Life from version River: 1.199 hours Half-Life from design Lake : 110.4 hrs (4.599 days) removed In Wastewater treatment (recommended maximum 95%): complete removal: 95.23 percent total biodegradation: 0.07 percent full sludge adsorption: 15.73 percent full to Air: 79.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 15.5 69.3 1000 Water 29.9 900 1000 soil 48.9 1.8e+003 1000 Sediment 5.84 8.1e+003 0 Persistence Time: 262 hr
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