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- Double-bond stereo
(7E)-7-Octadecene
CCCCCCCCCC/C=C/CCCCCC
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-18H2,1-2H3/b15-13+
VBDYOHYDAONYJK-FYWRMAATSA-N
CSID:4509789, http://www.chemspider.com/Chemical-Structure.4509789.html (accessed 00:29, Apr 25, 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) = 8.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 311.68 (Adapted Stein & Brown method) Melting Pt (deg C): 23.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00198 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001466 log Kow used: 8.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.1098e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E+001 atm-m3/mole Group Method: 2.81E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.487E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.97 (KowWin est) Log Kaw used: 2.715 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.255 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8442 Biowin2 (Non-Linear Model) : 0.9573 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2379 (weeks ) Biowin4 (Primary Survey Model) : 4.0216 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6660 Biowin6 (MITI Non-Linear Model): 0.7934 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2583 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2123 BioHC Half-Life (days) : 16.3057 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.264 Pa (0.00198 mm Hg) Log Koa (Koawin est ): 6.255 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E-005 Octanol/air (Koa) model: 4.42E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00041 Mackay model : 0.000908 Octanol/air (Koa) model: 3.53E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 75.4603 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 83.0603 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.701 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.545 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): 0.000659 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.308E+005 Log Koc: 5.363 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 = 0.616 (BCF = 4.133) log Kow used: 8.97 (estimated) Volatilization from Water: Henry LC: 12.7 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.622 hours Half-Life from Model Lake : 150.9 hours (6.289 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.24 percent Total biodegradation: 0.66 percent Total sludge adsorption: 86.53 percent Total to Air: 8.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0502 1.3 1000 Water 3.76 360 1000 Soil 27.9 720 1000 Sediment 68.3 3.24e+003 0 Persistence Time: 1.24e+003 hr
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