Try beta.chemspider
4,4,7,7,11,11-Hexamethyl-5,6,6c,12,13,14b-hexahydro-4H,7H,11H-chromeno[5',6':4,5]furo[3,2-c]pyrano[3,2-g]chromene
CC1(CCc2cc3c(cc2O1)OC(C4C3Oc5c4c6c(cc5)OC(CC6)(C)C)(C)C)C
InChI=1S/C27H32O4/c1-25(2)11-9-15-13-17-21(14-20(15)30-25)31-27(5,6)23-22-16-10-12-26(3,4)29-18(16)7-8-19(22)28-24(17)23/h7-8,13-14,23-24H,9-12H2,1-6H3
RBXIIYKLGLKWAW-UHFFFAOYSA-N
CSID:320700, http://www.chemspider.com/Chemical-Structure.320700.html (accessed 13:24, Jun 14, 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) = 6.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.45 (Adapted Stein & Brown method) Melting Pt (deg C): 205.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.78E-010 (Modified Grain method) Subcooled liquid VP: 6.39E-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): 0.01041 log Kow used: 6.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0057405 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.136E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3807 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4250 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8469 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0947 Biowin6 (MITI Non-Linear Model): 0.0077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5497 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): 8.52E-006 Pa (6.39E-008 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.352 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.927 Mackay model : 0.966 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 695.9639 E-12 cm3/molecule-sec Half-Life = 0.015 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.065 Min Ozone Reaction: OVERALL Ozone Rate Constant = 855.737488 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.928 Min Fraction sorbed to airborne particulates (phi): 0.946 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.077E+004 Log Koc: 4.318 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 = 4.116 (BCF = 1.305e+004) log Kow used: 6.25 (estimated) Volatilization from Water: Henry LC: 4.14E-008 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.903E+004 hours (1210 days) Half-Life from Model Lake : 3.169E+005 hours (1.32E+004 days) Removal In Wastewater Treatment: Total removal: 92.97 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.20 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 0.00015 0.0296 1000 Water 1.26 4.32e+003 1000 Soil 44 8.64e+003 1000 Sediment 54.7 3.89e+004 0 Persistence Time: 9.44e+003 hr
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