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- Double-bond stereo
(7E)-7-Pentadecene
CCCCCCC/C=C/CCCCCC
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13+
ZXFYKYSBFXNVIG-FYWRMAATSA-N
CSID:4509754, http://www.chemspider.com/Chemical-Structure.4509754.html (accessed 06:01, Jun 1, 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) = 7.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 265.77 (Adapted Stein & Brown method) Melting Pt (deg C): 11.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0196 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.004481 log Kow used: 7.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0027599 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.42E+000 atm-m3/mole Group Method: 9.96E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.211E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.49 (KowWin est) Log Kaw used: 2.346 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.144 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8642 Biowin2 (Non-Linear Model) : 0.9761 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3309 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0823 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6430 Biowin6 (MITI Non-Linear Model): 0.7811 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1803 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0131 BioHC Half-Life (days) : 10.3071 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.65 Pa (0.0199 mm Hg) Log Koa (Koawin est ): 5.144 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-006 Octanol/air (Koa) model: 3.42E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.08E-005 Mackay model : 9.04E-005 Octanol/air (Koa) model: 2.74E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 71.2212 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 78.8212 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.802 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.628 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): 6.56E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.679E+004 Log Koc: 4.566 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 = 2.635 (BCF = 431.2) log Kow used: 7.49 (estimated) Volatilization from Water: Henry LC: 5.42 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.48 hours Half-Life from Model Lake : 137.8 hours (5.741 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.58 percent Total biodegradation: 0.32 percent Total sludge adsorption: 67.69 percent Total to Air: 30.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.103 1.33 1000 Water 5.97 208 1000 Soil 29.7 416 1000 Sediment 64.2 1.87e+003 0 Persistence Time: 646 hr
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