Try beta.chemspider
2-Methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromene-5,6-diyl diacetate
CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2OC(=O)C)OC(=O)C)C
InChI=1S/C30H48O5/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-19-30(7)20-18-26-27(35-30)16-17-28(33-24(5)31)29(26)34-25(6)32/h16-17,21-23H,8-15,18-20H2,1-7H3
UMAREZNRIXLEAC-UHFFFAOYSA-N
CSID:8249783, http://www.chemspider.com/Chemical-Structure.8249783.html (accessed 10:30, Jul 3, 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) = 10.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 491.22 (Adapted Stein & Brown method) Melting Pt (deg C): 183.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E-009 (Modified Grain method) Subcooled liquid VP: 4.57E-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): 4.233e-007 log Kow used: 10.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.5444e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.68E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.549E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.89 (KowWin est) Log Kaw used: -3.823 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.713 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8659 Biowin2 (Non-Linear Model) : 0.9952 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0545 (months ) Biowin4 (Primary Survey Model) : 3.4557 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4846 Biowin6 (MITI Non-Linear Model): 0.2861 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2297 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): 6.09E-006 Pa (4.57E-008 mm Hg) Log Koa (Koawin est ): 14.713 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.492 Octanol/air (Koa) model: 127 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.947 Mackay model : 0.975 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.8270 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.576 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.961 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.345E+006 Log Koc: 6.129 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.800E+000 L/mol-sec Kb Half-Life at pH 8: 4.456 days Kb Half-Life at pH 7: 44.558 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 10.89 (estimated) Volatilization from Water: Henry LC: 3.68E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 354 hours (14.75 days) Half-Life from Model Lake : 4047 hours (168.6 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0389 5.15 1000 Water 1.34 1.44e+003 1000 Soil 32.2 2.88e+003 1000 Sediment 66.4 1.3e+004 0 Persistence Time: 4.94e+003 hr
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