1,2-Dihydronaphthalene
c1ccc2c(c1)CCC=C2
InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
KEIFWROAQVVDBN-UHFFFAOYSA-N
CSID:9550, http://www.chemspider.com/Chemical-Structure.9550.html (accessed 04:49, Apr 20, 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) = 3.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 204.42 (Adapted Stein & Brown method) Melting Pt (deg C): -3.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.26 (Mean VP of Antoine & Grain methods) MP (exp database): -8 deg C BP (exp database): 206.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 58.45 log Kow used: 3.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35.446 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.11E-003 atm-m3/mole Group Method: 4.45E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.620E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.74 (KowWin est) Log Kaw used: -1.064 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.804 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7402 Biowin2 (Non-Linear Model) : 0.8503 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8366 (weeks ) Biowin4 (Primary Survey Model) : 3.5914 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3341 Biowin6 (MITI Non-Linear Model): 0.3582 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0655 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5808 BioHC Half-Life (days) : 38.0875 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 31.9 Pa (0.239 mm Hg) Log Koa (Koawin est ): 4.804 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.41E-008 Octanol/air (Koa) model: 1.56E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.4E-006 Mackay model : 7.53E-006 Octanol/air (Koa) model: 1.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.2528 E-12 cm3/molecule-sec Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.029 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 5.47E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1837 Log Koc: 3.264 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 = 2.182 (BCF = 151.9) log Kow used: 3.74 (estimated) Volatilization from Water: Henry LC: 0.000445 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.666 hours Half-Life from Model Lake : 124.8 hours (5.198 days) Removal In Wastewater Treatment: Total removal: 31.83 percent Total biodegradation: 0.21 percent Total sludge adsorption: 18.15 percent Total to Air: 13.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.214 1.35 1000 Water 17.8 360 1000 Soil 80.6 720 1000 Sediment 1.3 3.24e+003 0 Persistence Time: 413 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight