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CAS Number: 68480-07-9
SMILES : O(C(OC)COc(ccc(c1ccc2)c2)c1)C
CHEM : Naphthalene, 2-(2,2-dimethoxyethoxy)-
MOL FOR: C14 H16 O3
MOL WT : 232.28
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 2.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 332.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 89.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.29E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0111 (Modified Grain method)
Subcooled liquid VP: 0.000343 mm Hg (25 deg C, Mod-Grain method)
: 0.0457 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 164.6
log Kow used: 2.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 86.662 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.84E-008 atm-m3/mole (2.87E-003 Pa-m3/mole)
Group Method: 5.23E-008 atm-m3/mole (5.30E-003 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.539E-007 atm-m3/mole (1.560E-002 Pa-m3/mole)
VP: 8.29E-005 mm Hg (source: MPBPVP)
WS: 165 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.64 (KowWin est)
Log Kaw used: -5.935 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.575
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0742
Biowin2 (Non-Linear Model) : 0.0074
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6104 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5703 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2764
Biowin6 (MITI Non-Linear Model): 0.1345
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4674
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): 0.0457 Pa (0.000343 mm Hg)
Log Koa (Koawin est ): 8.575
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.56E-005
Octanol/air (Koa) model: 9.23E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00236
Mackay model : 0.00522
Octanol/air (Koa) model: 0.00733
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 217.4005 E-12 cm3/molecule-sec
Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.590 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00379 (Junge-Pankow, Mackay avg)
0.00733 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 331.1 L/kg (MCI method)
Log Koc: 2.520 (MCI method)
Koc : 182 L/kg (Kow method)
Log Koc: 2.260 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.409 (BCF = 25.64 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0269 days (HL = 1.064 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.626 (BCF = 42.31)
Log BAF Arnot-Gobas method (upper trophic) = 1.626 (BAF = 42.31)
log Kow used: 2.64 (estimated)
Volatilization from Water:
Henry LC: 2.84E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.142E+004 hours (1309 days)
Half-Life from Model Lake : 3.429E+005 hours (1.429E+004 days)
Removal In Wastewater Treatment:
Total removal: 3.56 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.46 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 0.0444 1.18 1000
Water 18.7 900 1000
Soil 80.9 1.8e+003 1000
Sediment 0.347 8.1e+003 0
Persistence Time: 1.1e+003 hr