Try beta.chemspider
1,1-Dibromoheptane
CCCCCCC(Br)Br
InChI=1S/C7H14Br2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3
AENZTLHIVNISKG-UHFFFAOYSA-N
CSID:39149, http://www.chemspider.com/Chemical-Structure.39149.html (accessed 01:58, Apr 27, 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) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 222.67 (Adapted Stein & Brown method) Melting Pt (deg C): 8.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.173 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.785 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.734 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.552E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: -0.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.050 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6408 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9853 (weeks ) Biowin4 (Primary Survey Model) : 3.8153 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3349 Biowin6 (MITI Non-Linear Model): 0.0186 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1210 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 21.6 Pa (0.162 mm Hg) Log Koa (Koawin est ): 5.050 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.39E-007 Octanol/air (Koa) model: 2.75E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.02E-006 Mackay model : 1.11E-005 Octanol/air (Koa) model: 2.2E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.2708 E-12 cm3/molecule-sec Half-Life = 1.706 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.468 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 783.4 Log Koc: 2.894 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.791E-007 L/mol-sec Kb Half-Life at pH 8: 1.227E+005 years Kb Half-Life at pH 7: 1.227E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.682 (BCF = 481.2) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 0.00535 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.815 hours Half-Life from Model Lake : 154.5 hours (6.437 days) Removal In Wastewater Treatment: Total removal: 78.90 percent Total biodegradation: 0.26 percent Total sludge adsorption: 38.03 percent Total to Air: 40.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.53 40.9 1000 Water 15 360 1000 Soil 76 720 1000 Sediment 4.5 3.24e+003 0 Persistence Time: 417 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight