Try beta.chemspider
2,2'-Dihydroxy-1,1'-binaphthalene-3,3'-dicarbaldehyde
c1ccc2c(c1)cc(c(c2c3c4ccccc4cc(c3O)C=O)O)C=O
InChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H
DENRDANQMQOFEU-UHFFFAOYSA-N
CSID:9232153, http://www.chemspider.com/Chemical-Structure.9232153.html (accessed 09:58, Jun 1, 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) = 6.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 578.23 (Adapted Stein & Brown method) Melting Pt (deg C): 249.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-014 (Modified Grain method) Subcooled liquid VP: 2.74E-012 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): 0.01167 log Kow used: 6.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11411 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E-013 atm-m3/mole Group Method: 8.48E-019 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.860E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.14 (KowWin est) Log Kaw used: -10.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3854 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6000 (weeks-months) Biowin4 (Primary Survey Model) : 3.8265 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7271 Biowin6 (MITI Non-Linear Model): 0.5763 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2884 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): 3.65E-010 Pa (2.74E-012 mm Hg) Log Koa (Koawin est ): 16.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E+003 Octanol/air (Koa) model: 1.97E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.5065 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.264 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.92E+004 Log Koc: 4.950 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 = 4.025 (BCF = 1.06e+004) log Kow used: 6.14 (estimated) Volatilization from Water: Henry LC: 4.2E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.579E+009 hours (1.075E+008 days) Half-Life from Model Lake : 2.814E+010 hours (1.172E+009 days) Removal In Wastewater Treatment: Total removal: 92.67 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.90 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 0.0381 2.53 1000 Water 3.45 900 1000 Soil 35.7 1.8e+003 1000 Sediment 60.8 8.1e+003 0 Persistence Time: 2.7e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight