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- Double-bond stereo
(1E)-1-Nonen-1-ylbenzene
CCCCCCC/C=C/c1ccccc1
InChI=1S/C15H22/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8-14H,2-7H2,1H3/b12-9+
KNZIIQMSCLCSGZ-FMIVXFBMSA-N
CSID:4520505, http://www.chemspider.com/Chemical-Structure.4520505.html (accessed 01:30, May 3, 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) = 6.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.92 (Adapted Stein & Brown method) Melting Pt (deg C): 18.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00411 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1941 log Kow used: 6.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11573 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.37E-002 atm-m3/mole Group Method: 2.62E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.637E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.25 (KowWin est) Log Kaw used: -0.014 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.264 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8877 Biowin2 (Non-Linear Model) : 0.9776 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0724 (weeks ) Biowin4 (Primary Survey Model) : 3.8298 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4605 Biowin6 (MITI Non-Linear Model): 0.4846 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1887 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9040 BioHC Half-Life (days) : 8.0164 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.548 Pa (0.00411 mm Hg) Log Koa (Koawin est ): 6.264 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.47E-006 Octanol/air (Koa) model: 4.51E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000198 Mackay model : 0.000438 Octanol/air (Koa) model: 3.61E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.3503 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 73.9503 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.934 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.736 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 6.825000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec [Trans-] Half-Life = 4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.000318 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.759E+004 Log Koc: 4.575 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 = 4.116 (BCF = 1.305e+004) log Kow used: 6.25 (estimated) Volatilization from Water: Henry LC: 0.0262 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.483 hours Half-Life from Model Lake : 135.5 hours (5.644 days) Removal In Wastewater Treatment: Total removal: 94.45 percent Total biodegradation: 0.65 percent Total sludge adsorption: 85.20 percent Total to Air: 8.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.12 1.97 1000 Water 5.73 360 1000 Soil 37.6 720 1000 Sediment 56.5 3.24e+003 0 Persistence Time: 914 hr
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