6,6,10,10-Tetramethyl-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one
CC1(C=CC2=C(O1)C3=C(C4=C2OC(C=C4)(C)C)OC(=O)C=C3)C
InChI=1S/C19H18O4/c1-18(2)9-7-12-15-11(5-6-14(20)21-15)16-13(17(12)23-18)8-10-19(3,4)22-16/h5-10H,1-4H3
BHLCTWNBGOOKAJ-UHFFFAOYSA-N
CSID:9613169, http://www.chemspider.com/Chemical-Structure.9613169.html (accessed 12:22, Apr 19, 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) = 4.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.50 (Adapted Stein & Brown method) Melting Pt (deg C): 178.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.13E-008 (Modified Grain method) Subcooled liquid VP: 8.45E-007 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): 0.7873 log Kow used: 4.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.070088 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.38E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.105E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.84 (KowWin est) Log Kaw used: -6.658 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.498 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6699 Biowin2 (Non-Linear Model) : 0.9766 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1131 (months ) Biowin4 (Primary Survey Model) : 3.4763 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6970 Biowin6 (MITI Non-Linear Model): 0.4267 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0639 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): 0.000113 Pa (8.45E-007 mm Hg) Log Koa (Koawin est ): 11.498 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0266 Octanol/air (Koa) model: 0.0773 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.49 Mackay model : 0.681 Octanol/air (Koa) model: 0.861 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 325.9840 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.624 Min Ozone Reaction: OVERALL Ozone Rate Constant = 6.300000 E-17 cm3/molecule-sec Half-Life = 0.182 Days (at 7E11 mol/cm3) Half-Life = 4.366 Hrs Fraction sorbed to airborne particulates (phi): 0.585 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5601 Log Koc: 3.748 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 = 3.026 (BCF = 1061) log Kow used: 4.84 (estimated) Volatilization from Water: Henry LC: 5.38E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.917E+005 hours (7988 days) Half-Life from Model Lake : 2.092E+006 hours (8.715E+004 days) Removal In Wastewater Treatment: Total removal: 72.00 percent Total biodegradation: 0.64 percent Total sludge adsorption: 71.36 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 0.0117 0.667 1000 Water 9.22 1.44e+003 1000 Soil 71 2.88e+003 1000 Sediment 19.8 1.3e+004 0 Persistence Time: 2.25e+003 hr
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