- Double-bond stereo
(7Z)-5,8-Diethyl-7-(hydroxyimino)-6-dodecanol
CCCCC(CC)C(/C(=N\O)/C(CC)CCCC)O
InChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15-
SLCANKHLTWZHRV-ICFOKQHNSA-N
CSID:4514655, http://www.chemspider.com/Chemical-Structure.4514655.html (accessed 11:41, Apr 18, 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) = 5.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 372.33 (Adapted Stein & Brown method) Melting Pt (deg C): 68.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.08E-007 (Modified Grain method) Subcooled liquid VP: 5.37E-007 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): 0.1637 log Kow used: 5.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.25757 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.538E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.90 (KowWin est) Log Kaw used: -6.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.235 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9939 Biowin2 (Non-Linear Model) : 0.9813 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3560 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1237 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3107 Biowin6 (MITI Non-Linear Model): 0.2512 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2745 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): 7.16E-005 Pa (5.37E-007 mm Hg) Log Koa (Koawin est ): 12.235 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0419 Octanol/air (Koa) model: 0.422 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.602 Mackay model : 0.77 Octanol/air (Koa) model: 0.971 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.5494 E-12 cm3/molecule-sec Half-Life = 0.375 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.496 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.686 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9366 Log Koc: 3.972 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 = 2.844 (BCF = 698.1) log Kow used: 5.90 (estimated) Volatilization from Water: Henry LC: 1.13E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.537E+004 hours (3557 days) Half-Life from Model Lake : 9.314E+005 hours (3.881E+004 days) Removal In Wastewater Treatment: Total removal: 91.68 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.91 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.295 8.99 1000 Water 10.1 208 1000 Soil 50.1 416 1000 Sediment 39.5 1.87e+003 0 Persistence Time: 594 hr
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