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8,9-Diheptyl-8-hexadecene
CCCCCCCC(=C(CCCCCCC)CCCCCCC)CCCCCCC
InChI=1S/C30H60/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2)30(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-28H2,1-4H3
QCQLBJJVNQGNPB-UHFFFAOYSA-N
CSID:550790, http://www.chemspider.com/Chemical-Structure.550790.html (accessed 14:42, May 21, 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) = 14.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 447.70 (Adapted Stein & Brown method) Melting Pt (deg C): 134.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-007 (Modified Grain method) Subcooled liquid VP: 1.51E-006 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): 1.081e-010 log Kow used: 14.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2081e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.30E+002 atm-m3/mole Group Method: 2.81E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.095E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 14.97 (KowWin est) Log Kaw used: 4.336 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.634 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9809 Biowin2 (Non-Linear Model) : 0.9880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4626 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3169 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6479 Biowin6 (MITI Non-Linear Model): 0.6820 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1294 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6959 BioHC Half-Life (days) : 49.6441 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000201 Pa (1.51E-006 mm Hg) Log Koa (Koawin est ): 10.634 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0149 Octanol/air (Koa) model: 0.0106 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.35 Mackay model : 0.544 Octanol/air (Koa) model: 0.458 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 142.4684 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.901 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 120.000000 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 13.752 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.447 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.09E+008 Log Koc: 8.490 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 = 0.500 (BCF = 3.162) log Kow used: 14.97 (estimated) Volatilization from Water: Henry LC: 530 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.093 hours Half-Life from Model Lake : 194.8 hours (8.118 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0145 0.203 1000 Water 5.7 208 1000 Soil 30 416 1000 Sediment 64.3 1.87e+003 0 Persistence Time: 670 hr
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