1,1'-Bi(cyclopropylidene)
C1CC1=C2CC2
InChI=1S/C6H8/c1-2-5(1)6-3-4-6/h1-4H2
VIVNOHOCUKALPP-UHFFFAOYSA-N
CSID:124704, http://www.chemspider.com/Chemical-Structure.124704.html (accessed 13:51, Apr 19, 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) = 2.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.24 (Adapted Stein & Brown method) Melting Pt (deg C): -52.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 56.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 112.5 log Kow used: 2.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 177.03 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.24E-002 atm-m3/mole Group Method: 9.30E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.333E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.96 (KowWin est) Log Kaw used: 0.471 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7094 Biowin2 (Non-Linear Model) : 0.8666 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0221 (weeks ) Biowin4 (Primary Survey Model) : 3.7321 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5527 Biowin6 (MITI Non-Linear Model): 0.7611 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3560 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5658 BioHC Half-Life (days) : 36.7972 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.27E+003 Pa (54.5 mm Hg) Log Koa (Koawin est ): 2.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.13E-010 Octanol/air (Koa) model: 7.57E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.49E-008 Mackay model : 3.3E-008 Octanol/air (Koa) model: 6.05E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.0919 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.166 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): 2.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 158.8 Log Koc: 2.201 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 = 1.580 (BCF = 37.99) log Kow used: 2.96 (estimated) Volatilization from Water: Henry LC: 0.0093 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 0.9698 hours (58.19 min) Half-Life from Model Lake : 85.64 hours (3.568 days) Removal In Wastewater Treatment: Total removal: 78.92 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.97 percent Total to Air: 75.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.174 0.209 1000 Water 48.2 360 1000 Soil 50.9 720 1000 Sediment 0.748 3.24e+003 0 Persistence Time: 130 hr
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