Try beta.chemspider
2,4-Diphenyl-4a,5,6,10b-tetrahydro-4H-benzo[h]chromene
O2\C(=C/C(c1ccccc1)C4C2c3c(cccc3)CC4)c5ccccc5
InChI=1S/C25H22O/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25/h1-14,17,22-23,25H,15-16H2
JLNJWRUOTFGBFS-UHFFFAOYSA-N
CSID:9733912, http://www.chemspider.com/Chemical-Structure.9733912.html (accessed 03:00, Jul 4, 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) = 6.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 454.00 (Adapted Stein & Brown method) Melting Pt (deg C): 172.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18E-008 (Modified Grain method) Subcooled liquid VP: 3.91E-007 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): 0.01236 log Kow used: 6.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0016405 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.91E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.252E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.76 (KowWin est) Log Kaw used: -4.392 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.152 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6046 Biowin2 (Non-Linear Model) : 0.3836 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3369 (weeks-months) Biowin4 (Primary Survey Model) : 3.2224 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2151 Biowin6 (MITI Non-Linear Model): 0.0059 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6450 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): 5.21E-005 Pa (3.91E-007 mm Hg) Log Koa (Koawin est ): 11.152 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0575 Octanol/air (Koa) model: 0.0348 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.675 Mackay model : 0.822 Octanol/air (Koa) model: 0.736 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 148.3735 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.865 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 68.249992 E-17 cm3/molecule-sec Half-Life = 0.017 Days (at 7E11 mol/cm3) Half-Life = 24.179 Min Fraction sorbed to airborne particulates (phi): 0.748 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.651E+006 Log Koc: 6.218 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 = 4.502 (BCF = 3.177e+004) log Kow used: 6.76 (estimated) Volatilization from Water: Henry LC: 9.91E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1089 hours (45.37 days) Half-Life from Model Lake : 1.203E+004 hours (501.3 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.93 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 0.00525 0.327 1000 Water 2.33 900 1000 Soil 29.6 1.8e+003 1000 Sediment 68.1 8.1e+003 0 Persistence Time: 2.95e+003 hr
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