Try beta.chemspider
2-(2,6-Dimethyl-5-hepten-1-yl)-7-methyl-4-methyleneoctahydro-2H-chromene
CC1CCC2C(C1)OC(CC2=C)CC(C)CCC=C(C)C
InChI=1S/C20H34O/c1-14(2)7-6-8-15(3)11-18-13-17(5)19-10-9-16(4)12-20(19)21-18/h7,15-16,18-20H,5-6,8-13H2,1-4H3
NNOLCPLJEUHKPQ-UHFFFAOYSA-N
CSID:2368998, http://www.chemspider.com/Chemical-Structure.2368998.html (accessed 06:32, 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) = 7.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.04 (Adapted Stein & Brown method) Melting Pt (deg C): 73.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000152 (Modified Grain method) Subcooled liquid VP: 0.000438 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): 0.003468 log Kow used: 7.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.035659 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.51E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.675E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.73 (KowWin est) Log Kaw used: 0.011 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.719 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2619 Biowin2 (Non-Linear Model) : 0.0105 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5485 (weeks-months) Biowin4 (Primary Survey Model) : 3.4189 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0959 Biowin6 (MITI Non-Linear Model): 0.0150 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3702 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): 0.0584 Pa (0.000438 mm Hg) Log Koa (Koawin est ): 7.719 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.14E-005 Octanol/air (Koa) model: 1.29E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00185 Mackay model : 0.00409 Octanol/air (Koa) model: 0.00103 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 192.8818 E-12 cm3/molecule-sec Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.665 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec Half-Life = 0.026 Days (at 7E11 mol/cm3) Half-Life = 37.336 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00297 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.477E+004 Log Koc: 4.651 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 = 3.805 (BCF = 6386) log Kow used: 7.73 (estimated) Volatilization from Water: Henry LC: 0.0251 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.779 hours Half-Life from Model Lake : 162.3 hours (6.763 days) Removal In Wastewater Treatment: Total removal: 94.05 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.93 percent Total to Air: 0.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00673 0.424 1000 Water 1.95 900 1000 Soil 28.4 1.8e+003 1000 Sediment 69.7 8.1e+003 0 Persistence Time: 3.05e+003 hr
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