Try beta.chemspider
- Double-bond stereo
(3E,7E)-3,7-Decadiene
CC/C=C/CC/C=C/CC
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h5-8H,3-4,9-10H2,1-2H3/b7-5+,8-6+
LCSLWNXVIDKVGD-KQQUZDAGSA-N
CSID:4935031, http://www.chemspider.com/Chemical-Structure.4935031.html (accessed 16:01, Apr 29, 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) = 4.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 177.65 (Adapted Stein & Brown method) Melting Pt (deg C): -45.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.883 log Kow used: 4.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.832 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.30E-001 atm-m3/mole Group Method: 4.66E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.420E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.82 (KowWin est) Log Kaw used: 1.475 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.345 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8986 Biowin2 (Non-Linear Model) : 0.9913 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4903 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1864 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5241 Biowin6 (MITI Non-Linear Model): 0.6000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1486 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5351 BioHC Half-Life (days) : 3.4281 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 180 Pa (1.35 mm Hg) Log Koa (Koawin est ): 3.345 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E-008 Octanol/air (Koa) model: 5.43E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.02E-007 Mackay model : 1.33E-006 Octanol/air (Koa) model: 4.35E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 117.3002 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 132.5002 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.094 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.969 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 9.68E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1724 Log Koc: 3.236 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 = 3.013 (BCF = 1031) log Kow used: 4.82 (estimated) Volatilization from Water: Henry LC: 0.466 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.201 hours Half-Life from Model Lake : 111.7 hours (4.654 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.62 percent Total biodegradation: 0.14 percent Total sludge adsorption: 43.74 percent Total to Air: 55.74 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.464 0.713 1000 Water 33.2 208 1000 Soil 50.3 416 1000 Sediment 16 1.87e+003 0 Persistence Time: 145 hr
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