Try beta.chemspider
2,2',2'',2'''-(1,4-Phenylenedimethanetriyl)tetrakis(5-methylfuran)
Cc1ccc(o1)C(c2ccc(cc2)C(c3ccc(o3)C)c4ccc(o4)C)c5ccc(o5)C
InChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3
RRVUFAMSZPVECV-UHFFFAOYSA-N
CSID:2032605, http://www.chemspider.com/Chemical-Structure.2032605.html (accessed 00:12, Apr 26, 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) = 9.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 498.12 (Adapted Stein & Brown method) Melting Pt (deg C): 211.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.17E-010 (Modified Grain method) Subcooled liquid VP: 3.06E-008 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): 1.817e-005 log Kow used: 9.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7515e-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 : 4.10E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.791E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.44 (KowWin est) Log Kaw used: -4.776 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.216 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8725 Biowin2 (Non-Linear Model) : 0.6022 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8075 (months ) Biowin4 (Primary Survey Model) : 2.8212 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3118 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9589 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): 4.08E-006 Pa (3.06E-008 mm Hg) Log Koa (Koawin est ): 14.216 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.735 Octanol/air (Koa) model: 40.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.964 Mackay model : 0.983 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 204.4240 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.628 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.973 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.101E+008 Log Koc: 8.851 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 = 1.467 (BCF = 29.34) log Kow used: 9.44 (estimated) Volatilization from Water: Henry LC: 4.1E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2951 hours (123 days) Half-Life from Model Lake : 3.237E+004 hours (1349 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0119 1.26 1000 Water 1.38 1.44e+003 1000 Soil 30.4 2.88e+003 1000 Sediment 68.2 1.3e+004 0 Persistence Time: 4.75e+003 hr
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