Try beta.chemspider
(9,11,13-Trimethyl-8,15-dioxatetracyclo[10.2.2.0~2,7~.0~9,14~]hexadeca-2,4,6-trien-12-yl)methyl cyclohexylcarbamate
CC1CC2(C3C(C1(COC3c4ccccc4O2)COC(=O)NC5CCCCC5)C)C
InChI=1S/C25H35NO4/c1-16-13-24(3)21-17(2)25(16,15-29-23(27)26-18-9-5-4-6-10-18)14-28-22(21)19-11-7-8-12-20(19)30-24/h7-8,11-12,16-18,21-22H,4-6,9-10,13-15H2,1-3H3,(H,26,27)
HTEHTVFZNJDZHV-UHFFFAOYSA-N
CSID:2147287, http://www.chemspider.com/Chemical-Structure.2147287.html (accessed 13:29, May 11, 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) = 6.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 474.12 (Adapted Stein & Brown method) Melting Pt (deg C): 200.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.73E-009 (Modified Grain method) Subcooled liquid VP: 1.23E-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): 0.01466 log Kow used: 6.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022688 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.422E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.13 (KowWin est) Log Kaw used: -10.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.432 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0469 Biowin2 (Non-Linear Model) : 0.0015 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7475 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2052 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0319 Biowin6 (MITI Non-Linear Model): 0.0098 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1553 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): 1.64E-005 Pa (1.23E-007 mm Hg) Log Koa (Koawin est ): 16.432 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.183 Octanol/air (Koa) model: 6.64E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.869 Mackay model : 0.936 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.7073 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.214 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.902 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.473E+004 Log Koc: 4.541 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.900E-006 L/mol-sec Kb Half-Life at pH 8: 1.156E+004 years Kb Half-Life at pH 7: 1.156E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.021 (BCF = 1.049e+004) log Kow used: 6.13 (estimated) Volatilization from Water: Henry LC: 1.22E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.759E+008 hours (4.066E+007 days) Half-Life from Model Lake : 1.065E+010 hours (4.436E+008 days) Removal In Wastewater Treatment: Total removal: 92.64 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.86 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 1.31e-005 2.43 1000 Water 1.06 4.32e+003 1000 Soil 58.9 8.64e+003 1000 Sediment 40.1 3.89e+004 0 Persistence Time: 1.34e+004 hr
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