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1-Methoxy-4-(2-methoxy-2-propanyl)-1-methylcyclohexane
CC1(CCC(CC1)C(C)(C)OC)OC
InChI=1S/C12H24O2/c1-11(2,13-4)10-6-8-12(3,14-5)9-7-10/h10H,6-9H2,1-5H3
GGRDCTPZRBUOJU-UHFFFAOYSA-N
CSID:2283499, http://www.chemspider.com/Chemical-Structure.2283499.html (accessed 01:26, Apr 26, 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) = 3.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 219.36 (Adapted Stein & Brown method) Melting Pt (deg C): 20.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.204 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 64.54 log Kow used: 3.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3070.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.70E-005 atm-m3/mole Group Method: 2.68E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.331E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.31 (KowWin est) Log Kaw used: -2.633 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.943 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4104 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3149 (weeks-months) Biowin4 (Primary Survey Model) : 3.2324 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3478 Biowin6 (MITI Non-Linear Model): 0.1468 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1853 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): 25.3 Pa (0.19 mm Hg) Log Koa (Koawin est ): 5.943 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-007 Octanol/air (Koa) model: 2.15E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.28E-006 Mackay model : 9.47E-006 Octanol/air (Koa) model: 1.72E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.2276 E-12 cm3/molecule-sec Half-Life = 0.441 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.298 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.88E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.79 Log Koc: 1.516 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 = 1.851 (BCF = 71) log Kow used: 3.31 (estimated) Volatilization from Water: Henry LC: 2.68E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 310.6 hours (12.94 days) Half-Life from Model Lake : 3508 hours (146.1 days) Removal In Wastewater Treatment: Total removal: 9.51 percent Total biodegradation: 0.15 percent Total sludge adsorption: 9.22 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.423 10.6 1000 Water 18.3 900 1000 Soil 80.4 1.8e+003 1000 Sediment 0.849 8.1e+003 0 Persistence Time: 1.05e+003 hr
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