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1,2-Butanediylbis(diphenylphosphine)
CCC(CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
InChI=1S/C28H28P2/c1-2-24(30(27-19-11-5-12-20-27)28-21-13-6-14-22-28)23-29(25-15-7-3-8-16-25)26-17-9-4-10-18-26/h3-22,24H,2,23H2,1H3
JJRYTJCOOYOVOZ-UHFFFAOYSA-N
CSID:11494079, http://www.chemspider.com/Chemical-Structure.11494079.html (accessed 17:51, Jul 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) = 8.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 518.15 (Adapted Stein & Brown method) Melting Pt (deg C): 201.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-010 (Modified Grain method) Subcooled liquid VP: 9.51E-009 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): 0.0002182 log Kow used: 8.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1973e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.48E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.369E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.18 (KowWin est) Log Kaw used: -8.994 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.174 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0569 Biowin2 (Non-Linear Model) : 0.9845 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3447 (weeks-months) Biowin4 (Primary Survey Model) : 3.2520 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3437 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3932 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): 1.27E-006 Pa (9.51E-009 mm Hg) Log Koa (Koawin est ): 17.174 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.37 Octanol/air (Koa) model: 3.66E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.988 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.1993 E-12 cm3/molecule-sec Half-Life = 0.810 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.724 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.366E+008 Log Koc: 8.527 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 = 3.199 (BCF = 1581) log Kow used: 8.18 (estimated) Volatilization from Water: Henry LC: 2.48E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.875E+007 hours (2.031E+006 days) Half-Life from Model Lake : 5.319E+008 hours (2.216E+007 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.00959 19.4 1000 Water 1.61 900 1000 Soil 39.7 1.8e+003 1000 Sediment 58.7 8.1e+003 0 Persistence Time: 4.04e+003 hr
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