Try beta.chemspider
2-[(8-Chlorooctyl)oxy]tetrahydro-2H-pyran
C1CCOC(C1)OCCCCCCCCCl
InChI=1S/C13H25ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2
KTZCUNASYOHWBD-UHFFFAOYSA-N
CSID:80502, http://www.chemspider.com/Chemical-Structure.80502.html (accessed 21:22, Jul 1, 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) = 4.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 313.41 (Adapted Stein & Brown method) Melting Pt (deg C): 59.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000459 (Modified Grain method) Subcooled liquid VP: 0.000955 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.972 log Kow used: 4.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E-005 atm-m3/mole Group Method: 2.74E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.620E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.78 (KowWin est) Log Kaw used: -3.163 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.943 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1770 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4588 (weeks-months) Biowin4 (Primary Survey Model) : 3.3687 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4627 Biowin6 (MITI Non-Linear Model): 0.2214 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0742 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): 0.127 Pa (0.000955 mm Hg) Log Koa (Koawin est ): 7.943 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.36E-005 Octanol/air (Koa) model: 2.15E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00085 Mackay model : 0.00188 Octanol/air (Koa) model: 0.00172 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.1193 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.199 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00137 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 205.3 Log Koc: 2.312 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 = 1.984 (BCF = 96.35) log Kow used: 4.78 (estimated) Volatilization from Water: Henry LC: 1.68E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 56.58 hours (2.358 days) Half-Life from Model Lake : 749.5 hours (31.23 days) Removal In Wastewater Treatment: Total removal: 69.66 percent Total biodegradation: 0.62 percent Total sludge adsorption: 68.79 percent Total to Air: 0.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.239 6.4 1000 Water 12.8 900 1000 Soil 68.8 1.8e+003 1000 Sediment 18.1 8.1e+003 0 Persistence Time: 1.26e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight