Try beta.chemspider
Methyl 4-(2-ethoxy-8,8,11,11-tetramethyl-3,4,5,6,8,9,10,11-octahydro-2H-naphtho[2,3-h]chromen-4-yl)benzoate
O=C(OC)c1ccc(cc1)C2\C5=C(/OC(OCC)C2)c3c(cc4c(c3)C(C)(C)CCC4(C)C)CC5
InChI=1S/C31H38O4/c1-7-34-27-18-23(19-8-10-20(11-9-19)29(32)33-6)22-13-12-21-16-25-26(17-24(21)28(22)35-27)31(4,5)15-14-30(25,2)3/h8-11,16-17,23,27H,7,12-15,18H2,1-6H3
IYFDAGLMEUWXAL-UHFFFAOYSA-N
CSID:8157943, http://www.chemspider.com/Chemical-Structure.8157943.html (accessed 07:32, May 13, 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) = 6.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.36 (Adapted Stein & Brown method) Melting Pt (deg C): 223.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.64E-011 (Modified Grain method) Subcooled liquid VP: 7.43E-009 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): 0.001203 log Kow used: 6.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.016712 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.934E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.94 (KowWin est) Log Kaw used: -6.207 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.147 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2580 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6970 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9270 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0939 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8428 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): 9.91E-007 Pa (7.43E-009 mm Hg) Log Koa (Koawin est ): 13.147 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.03 Octanol/air (Koa) model: 3.44 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 164.6910 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.779 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 818.999939 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 2.015 Min Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.419E+005 Log Koc: 5.384 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.936E-002 L/mol-sec Kb Half-Life at pH 8: 1.135 years Kb Half-Life at pH 7: 11.347 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.647 (BCF = 4.437e+004) log Kow used: 6.94 (estimated) Volatilization from Water: Henry LC: 1.52E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.401E+004 hours (3500 days) Half-Life from Model Lake : 9.166E+005 hours (3.819E+004 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.000153 0.0329 1000 Water 0.864 4.32e+003 1000 Soil 40.2 8.64e+003 1000 Sediment 58.9 3.89e+004 0 Persistence Time: 1.03e+004 hr
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