Try beta.chemspider
1,1,3,3,6,6,8,8-Octamethyl-1,2,3,6,7,8-hexahydro-4H,9H-cyclopenta[b]cyclopenta[5,6]pyrano[3,4-d]pyran-4,9-dione
CC1(CC(c2c1c3c(c4c(oc3=O)C(CC4(C)C)(C)C)c(=O)o2)(C)C)C
InChI=1S/C22H28O4/c1-19(2)9-21(5,6)15-13(19)11-12(18(24)25-15)14-16(26-17(11)23)22(7,8)10-20(14,3)4/h9-10H2,1-8H3
ANJNSKLJQLGTAJ-UHFFFAOYSA-N
CSID:297460, http://www.chemspider.com/Chemical-Structure.297460.html (accessed 22:32, Apr 24, 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) = 4.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.69 (Adapted Stein & Brown method) Melting Pt (deg C): 204.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-009 (Modified Grain method) Subcooled liquid VP: 7.94E-008 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): 0.6673 log Kow used: 4.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16745 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.099E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.60 (KowWin est) Log Kaw used: -2.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.503 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1905 Biowin2 (Non-Linear Model) : 0.3128 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8434 (months ) Biowin4 (Primary Survey Model) : 3.1776 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6523 Biowin6 (MITI Non-Linear Model): 0.3434 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0337 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): 1.06E-005 Pa (7.94E-008 mm Hg) Log Koa (Koawin est ): 7.503 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.283 Octanol/air (Koa) model: 7.82E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.911 Mackay model : 0.958 Octanol/air (Koa) model: 0.000625 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 133.0907 E-12 cm3/molecule-sec Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.964 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 9.895000 E-17 cm3/molecule-sec Half-Life = 0.116 Days (at 7E11 mol/cm3) Half-Life = 2.780 Hrs Fraction sorbed to airborne particulates (phi): 0.934 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6715 Log Koc: 3.827 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 = 2.842 (BCF = 695.4) log Kow used: 4.60 (estimated) Volatilization from Water: Henry LC: 3.06E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 38.05 hours (1.585 days) Half-Life from Model Lake : 573.4 hours (23.89 days) Removal In Wastewater Treatment: Total removal: 61.52 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.38 percent Total to Air: 0.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.032 1.14 1000 Water 9.85 1.44e+003 1000 Soil 77.9 2.88e+003 1000 Sediment 12.3 1.3e+004 0 Persistence Time: 1.85e+003 hr
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