Try beta.chemspider
- Non-standard isotope
(5,6-~2~H_2_)-1,2-Dihydroacenaphthylene
[2H]c1ccc3c2c1c([2H])ccc2CC3
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/i3D,4D
CWRYPZZKDGJXCA-NMQOAUCRSA-N
CSID:8758400, http://www.chemspider.com/Chemical-Structure.8758400.html (accessed 00:06, Apr 25, 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) = 3.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 242.63 (Adapted Stein & Brown method) Melting Pt (deg C): 44.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0408 (Modified Grain method) Subcooled liquid VP: 0.0619 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): 12.27 log Kow used: 3.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.06 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.747E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6741 Biowin2 (Non-Linear Model) : 0.6940 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8584 (weeks ) Biowin4 (Primary Survey Model) : 3.6252 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3299 Biowin6 (MITI Non-Linear Model): 0.2172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1549 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2092 BioHC Half-Life (days) : 16.1867 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.25 Pa (0.0619 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.63E-007 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.31E-005 Mackay model : 2.91E-005 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 324.6396 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.722 Min Ozone Reaction: OVERALL Ozone Rate Constant = 6.075000 E-17 cm3/molecule-sec Half-Life = 0.189 Days (at 7E11 mol/cm3) Half-Life = 4.527 Hrs Fraction sorbed to airborne particulates (phi): 2.11E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6123 Log Koc: 3.787 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 = 2.217 (BCF = 165) log Kow used: 3.79 (estimated) Volatilization from Water: Henry LC: 0.000675 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.345 hours Half-Life from Model Lake : 129.7 hours (5.404 days) Removal In Wastewater Treatment: Total removal: 37.44 percent Total biodegradation: 0.21 percent Total sludge adsorption: 19.27 percent Total to Air: 17.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.113 0.673 1000 Water 17.3 360 1000 Soil 81.2 720 1000 Sediment 1.4 3.24e+003 0 Persistence Time: 405 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight