Try beta.chemspider
1-Methoxy-1-methylcyclododecane
CC1(CCCCCCCCCCC1)OC
InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
QACBYNLZEUNZSC-UHFFFAOYSA-N
CSID:142236, http://www.chemspider.com/Chemical-Structure.142236.html (accessed 07:56, 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) = 5.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 269.05 (Adapted Stein & Brown method) Melting Pt (deg C): 25.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0168 (Modified Grain method) Subcooled liquid VP: 0.0169 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): 0.4763 log Kow used: 5.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 98.139 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.14E-002 atm-m3/mole Group Method: 3.70E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.857E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.74 (KowWin est) Log Kaw used: -0.332 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.072 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1151 Biowin2 (Non-Linear Model) : 0.0057 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5091 (weeks-months) Biowin4 (Primary Survey Model) : 3.3781 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3672 Biowin6 (MITI Non-Linear Model): 0.3378 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2347 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): 2.25 Pa (0.0169 mm Hg) Log Koa (Koawin est ): 6.072 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.33E-006 Octanol/air (Koa) model: 2.9E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.81E-005 Mackay model : 0.000106 Octanol/air (Koa) model: 2.32E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.0648 E-12 cm3/molecule-sec Half-Life = 0.485 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.817 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.73E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1673 Log Koc: 3.224 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 = 3.717 (BCF = 5215) log Kow used: 5.74 (estimated) Volatilization from Water: Henry LC: 0.0037 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.718 hours Half-Life from Model Lake : 140.9 hours (5.872 days) Removal In Wastewater Treatment: Total removal: 91.64 percent Total biodegradation: 0.70 percent Total sludge adsorption: 86.42 percent Total to Air: 4.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.399 11.6 1000 Water 4.42 900 1000 Soil 51.6 1.8e+003 1000 Sediment 43.6 8.1e+003 0 Persistence Time: 1.67e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight