- Double-bond stereo
(4Z)-1,1-Diethoxy-4-decene
CCCCC/C=C\CCC(OCC)OCC
InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10-
PJGNMGFVWOAXQU-KHPPLWFESA-N
CSID:4946164, http://www.chemspider.com/Chemical-Structure.4946164.html (accessed 06:40, Mar 19, 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) = 4.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.57 (Adapted Stein & Brown method) Melting Pt (deg C): 22.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0131 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.957 log Kow used: 4.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.8307 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.00E-003 atm-m3/mole Group Method: 4.15E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.012E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.92 (KowWin est) Log Kaw used: -1.388 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.308 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0525 Biowin2 (Non-Linear Model) : 0.0052 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9755 (weeks ) Biowin4 (Primary Survey Model) : 3.7678 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3939 Biowin6 (MITI Non-Linear Model): 0.3036 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3398 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): 1.8 Pa (0.0135 mm Hg) Log Koa (Koawin est ): 6.308 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E-006 Octanol/air (Koa) model: 4.99E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.02E-005 Mackay model : 0.000133 Octanol/air (Koa) model: 3.99E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.3332 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 92.9332 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.504 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.381 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 9.68E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 184.8 Log Koc: 2.267 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 = 3.087 (BCF = 1223) log Kow used: 4.92 (estimated) Volatilization from Water: Henry LC: 0.001 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.427 hours Half-Life from Model Lake : 153.2 hours (6.383 days) Removal In Wastewater Treatment: Total removal: 78.32 percent Total biodegradation: 0.59 percent Total sludge adsorption: 70.49 percent Total to Air: 7.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.171 1.24 1000 Water 13.9 360 1000 Soil 72.6 720 1000 Sediment 13.4 3.24e+003 0 Persistence Time: 475 hr
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