Try beta.chemspider
2-Dodecyloxirane
CCCCCCCCCCCCC1CO1
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
IOHJQSFEAYDZGF-UHFFFAOYSA-N
CSID:17571, http://www.chemspider.com/Chemical-Structure.17571.html (accessed 10:42, 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) = 5.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 267.96 (Adapted Stein & Brown method) Melting Pt (deg C): 30.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0158 (Modified Grain method) Subcooled liquid VP: 0.0178 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): 0.4423 log Kow used: 5.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.57954 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.60E-003 atm-m3/mole Group Method: 5.48E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.983E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.77 (KowWin est) Log Kaw used: -0.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.602 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4075 Biowin2 (Non-Linear Model) : 0.1690 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0195 (weeks ) Biowin4 (Primary Survey Model) : 3.8007 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6579 Biowin6 (MITI Non-Linear Model): 0.7574 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3869 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.37 Pa (0.0178 mm Hg) Log Koa (Koawin est ): 6.602 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.26E-006 Octanol/air (Koa) model: 9.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.57E-005 Mackay model : 0.000101 Octanol/air (Koa) model: 7.85E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.9448 E-12 cm3/molecule-sec Half-Life = 0.671 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.050 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.34E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2046 Log Koc: 3.311 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.232E-001 L/mol-sec Ka Half-Life at pH 7: 1.783 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.746 (BCF = 557.5) log Kow used: 5.77 (estimated) Volatilization from Water: Henry LC: 0.0036 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.724 hours Half-Life from Model Lake : 141 hours (5.875 days) Removal In Wastewater Treatment: Total removal: 91.76 percent Total biodegradation: 0.70 percent Total sludge adsorption: 86.91 percent Total to Air: 4.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.15 16.1 1000 Water 8.14 360 1000 Soil 49 720 1000 Sediment 41.8 3.24e+003 0 Persistence Time: 706 hr
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