Try beta.chemspider
2-Methoxy-4,7-dimethyl-2-(2-methyl-1-propen-1-yl)chromane
C\C(C)=C/C1(CC(C)c2ccc(C)cc2O1)OC
InChI=1S/C16H22O2/c1-11(2)9-16(17-5)10-13(4)14-7-6-12(3)8-15(14)18-16/h6-9,13H,10H2,1-5H3
MHULAAUFJDXVSC-UHFFFAOYSA-N
CSID:10481038, http://www.chemspider.com/Chemical-Structure.10481038.html (accessed 02:09, Jul 2, 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) = 6.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 321.64 (Adapted Stein & Brown method) Melting Pt (deg C): 93.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000135 (Modified Grain method) Subcooled liquid VP: 0.000614 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): 0.1524 log Kow used: 6.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.31172 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 : 1.14E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.871E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.10 (KowWin est) Log Kaw used: -3.332 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.432 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3402 Biowin2 (Non-Linear Model) : 0.0962 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2262 (months ) Biowin4 (Primary Survey Model) : 3.2692 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3275 Biowin6 (MITI Non-Linear Model): 0.1546 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8286 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): 0.0819 Pa (0.000614 mm Hg) Log Koa (Koawin est ): 9.432 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.66E-005 Octanol/air (Koa) model: 0.000664 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00132 Mackay model : 0.00292 Octanol/air (Koa) model: 0.0504 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 162.2673 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.791 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.00212 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1629 Log Koc: 3.212 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 = 3.999 (BCF = 9968) log Kow used: 6.10 (estimated) Volatilization from Water: Henry LC: 1.14E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 82.21 hours (3.425 days) Half-Life from Model Lake : 1028 hours (42.85 days) Removal In Wastewater Treatment: Total removal: 92.54 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.76 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0139 1.11 1000 Water 2.72 1.44e+003 1000 Soil 36.1 2.88e+003 1000 Sediment 61.2 1.3e+004 0 Persistence Time: 3.84e+003 hr
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