Try beta.chemspider
Tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]
C1CCC2(CC1)OC3COC4C(C3O2)OC5(O4)CCCCC5
InChI=1S/C17H26O5/c1-3-7-16(8-4-1)19-12-11-18-15-14(13(12)20-16)21-17(22-15)9-5-2-6-10-17/h12-15H,1-11H2
MNXYIFLXTZJYIW-UHFFFAOYSA-N
CSID:2360811, http://www.chemspider.com/Chemical-Structure.2360811.html (accessed 19:52, Apr 30, 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) = 3.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 375.00 (Adapted Stein & Brown method) Melting Pt (deg C): 141.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.95E-006 (Modified Grain method) Subcooled liquid VP: 7.43E-005 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): 4.917 log Kow used: 3.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 104.92 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.84E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.111E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.91 (KowWin est) Log Kaw used: -9.804 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.714 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.5049 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0457 (months ) Biowin4 (Primary Survey Model) : 3.0443 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1981 Biowin6 (MITI Non-Linear Model): 0.0165 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2810 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): 0.00991 Pa (7.43E-005 mm Hg) Log Koa (Koawin est ): 13.714 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000303 Octanol/air (Koa) model: 12.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0108 Mackay model : 0.0237 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 71.5340 E-12 cm3/molecule-sec Half-Life = 0.150 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.794 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0172 (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 = 2.308 (BCF = 203.4) log Kow used: 3.91 (estimated) Volatilization from Water: Henry LC: 3.84E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.686E+008 hours (1.119E+007 days) Half-Life from Model Lake : 2.93E+009 hours (1.221E+008 days) Removal In Wastewater Treatment: Total removal: 26.13 percent Total biodegradation: 0.29 percent Total sludge adsorption: 25.84 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 1.82e-005 3.59 1000 Water 8.61 1.44e+003 1000 Soil 89.3 2.88e+003 1000 Sediment 2.07 1.3e+004 0 Persistence Time: 2.91e+003 hr
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