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1-Chloro-3-[(2-methoxy-2-propanyl)oxy]propane
ClCCCOC(OC)(C)C
InChI=1S/C7H15ClO2/c1-7(2,9-3)10-6-4-5-8/h4-6H2,1-3H3
BLADFWZBLDXLNV-UHFFFAOYSA-N
CSID:9227193, http://www.chemspider.com/Chemical-Structure.9227193.html (accessed 01:06, Jul 6, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 180.58 (Adapted Stein & Brown method) Melting Pt (deg C): -17.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.939 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 371.2 log Kow used: 2.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2295.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.53E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.547E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.62 (KowWin est) Log Kaw used: -2.646 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.266 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3218 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4283 (weeks-months) Biowin4 (Primary Survey Model) : 3.3338 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4375 Biowin6 (MITI Non-Linear Model): 0.1989 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1881 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 114 Pa (0.853 mm Hg) Log Koa (Koawin est ): 5.266 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.64E-008 Octanol/air (Koa) model: 4.53E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.53E-007 Mackay model : 2.11E-006 Octanol/air (Koa) model: 3.62E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.4028 E-12 cm3/molecule-sec Half-Life = 1.028 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.338 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.53E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.315 (BCF = 20.66) log Kow used: 2.62 (estimated) Volatilization from Water: Henry LC: 5.53E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 14.98 hours Half-Life from Model Lake : 271.7 hours (11.32 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.32 percent Total to Air: 2.82 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.39 24.7 1000 Water 19.9 900 1000 Soil 78.5 1.8e+003 1000 Sediment 0.205 8.1e+003 0 Persistence Time: 844 hr
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