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{5-[(2,2-Dimethyl-1,3-dioxolan-4-yl)(methoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}methanol
CC1(OCC(O1)C(C2C(OC(O2)(C)C)CO)OC)C
InChI=1S/C13H24O6/c1-12(2)16-7-9(18-12)10(15-5)11-8(6-14)17-13(3,4)19-11/h8-11,14H,6-7H2,1-5H3
UUVSZUKFQZABEO-UHFFFAOYSA-N
CSID:469148, http://www.chemspider.com/Chemical-Structure.469148.html (accessed 23:15, Apr 25, 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) = 1.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.52 (Adapted Stein & Brown method) Melting Pt (deg C): 115.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.46E-007 (Modified Grain method) Subcooled liquid VP: 6.56E-006 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): 2830 log Kow used: 1.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.035e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.19E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.087E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.50 (KowWin est) Log Kaw used: -12.766 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.266 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3299 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2809 (weeks-months) Biowin4 (Primary Survey Model) : 3.2229 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2516 Biowin6 (MITI Non-Linear Model): 0.0196 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5252 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): 0.000875 Pa (6.56E-006 mm Hg) Log Koa (Koawin est ): 14.266 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00343 Octanol/air (Koa) model: 45.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.11 Mackay model : 0.215 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.6582 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.016 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.163 (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 = 0.458 (BCF = 2.869) log Kow used: 1.50 (estimated) Volatilization from Water: Henry LC: 4.19E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.323E+011 hours (9.678E+009 days) Half-Life from Model Lake : 2.534E+012 hours (1.056E+011 days) Removal In Wastewater Treatment: Total removal: 1.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.88 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.46e-008 4.03 1000 Water 32.9 900 1000 Soil 67 1.8e+003 1000 Sediment 0.0831 8.1e+003 0 Persistence Time: 1.19e+003 hr
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