Try beta.chemspider
2,2'-Dichlorobiphenyl
c1ccc(c(c1)c2ccccc2Cl)Cl
InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
JAYCNKDKIKZTAF-UHFFFAOYSA-N
CSID:23886, http://www.chemspider.com/Chemical-Structure.23886.html (accessed 17:51, May 23, 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) = 5.05 Log Kow (Exper. database match) = 4.97 Exper. Ref: Hansch,C & Leo,A (1985) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.32 (Adapted Stein & Brown method) Melting Pt (deg C): 81.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000301 (Modified Grain method) MP (exp database): 61.5 deg C VP (exp database): 2.75E-03 mm Hg at 25 deg C Subcooled liquid VP: 0.00631 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.888 log Kow used: 4.97 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.85 mg/L (25 deg C) Exper. Ref: CHIOU,CT ET AL. (1983) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.59619 mg/L Wat Sol (Exper. database match) = 1.85 Exper. Ref: CHIOU,CT ET AL. (1983) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.27E-004 atm-m3/mole Group Method: 3.08E-004 atm-m3/mole Exper Database: 2.30E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.680E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.97 (exp database) Log Kaw used: -2.027 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.997 Log Koa (experimental database): 7.180 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2765 Biowin2 (Non-Linear Model) : 0.0149 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2929 (weeks-months) Biowin4 (Primary Survey Model) : 3.1952 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1265 Biowin6 (MITI Non-Linear Model): 0.0325 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7319 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): 0.841 Pa (0.00631 mm Hg) Log Koa (Exp database): 7.180 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.57E-006 Octanol/air (Koa) model: 3.72E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000129 Mackay model : 0.000285 Octanol/air (Koa) model: 0.000297 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7269 E-12 cm3/molecule-sec Half-Life = 6.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 74.325 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000207 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.709E+004 Log Koc: 4.233 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 = 3.747 (BCF = 5583) log Kow used: 4.97 (expkow database) Volatilization from Water: Henry LC: 0.00023 atm-m3/mole (Henry experimental database) Half-Life from Model River: 5.326 hours Half-Life from Model Lake : 183.3 hours (7.64 days) Removal In Wastewater Treatment: Total removal: 77.57 percent Total biodegradation: 0.65 percent Total sludge adsorption: 74.96 percent Total to Air: 1.95 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.36 128 1000 Water 8.79 900 1000 Soil 70 1.8e+003 1000 Sediment 18.8 8.1e+003 0 Persistence Time: 1.24e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight