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CAS Num: 000093-18-5
SMILES : O(c(ccc(c1ccc2)c2)c1)CC
CHEM : Naphthalene, 2-ethoxy-
MOL FOR: C12 H12 O1
MOL WT : 172.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.74
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 283.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 48.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00389 (Modified Grain method)
VP (Pa, 25 deg C) : 0.519 (Modified Grain method)
MP (exp database): 37.5 deg C
BP (exp database): 282 deg C
Subcooled liquid VP: 0.00505 mm Hg (25 deg C, Mod-Grain method)
: 0.673 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 38.32
log Kow used: 3.74 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.1465 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.13E-005 atm-m3/mole (4.19E+000 Pa-m3/mole)
Group Method: 4.06E-004 atm-m3/mole (4.11E+001 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: 2.300E-005 atm-m3/mole (2.331E+000 Pa-m3/mole)
VP: 0.00389 mm Hg (source: MPBPVP)
WS: 38.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.74 (KowWin est)
Log Kaw used: -2.773 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.513
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7975
Biowin2 (Non-Linear Model) : 0.9433
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7604 (weeks )
Biowin4 (Primary Survey Model) : 3.6764 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5023
Biowin6 (MITI Non-Linear Model): 0.5415
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2925
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.673 Pa (0.00505 mm Hg)
Log Koa (Koawin est ): 6.513
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.46E-006
Octanol/air (Koa) model: 8E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000161
Mackay model : 0.000356
Octanol/air (Koa) model: 6.4E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 206.1734 E-12 cm3/molecule-sec
Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.623 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000259 (Junge-Pankow, Mackay avg)
6.4E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1803 L/kg (MCI method)
Log Koc: 3.256 (MCI method)
Koc : 1121 L/kg (Kow method)
Log Koc: 3.050 (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 v3.00):
Log BCF from regression-based method = 2.135 (BCF = 136.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5119 days (HL = 3.25 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.609 (BCF = 406.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.611 (BAF = 408.1)
log Kow used: 3.74 (estimated)
Volatilization from Water:
Henry LC: 0.000406 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3.232 hours
Half-Life from Model Lake : 145.3 hours (6.054 days)
Removal In Wastewater Treatment:
Total removal: 31.00 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 18.24 percent
Total to Air: 12.56 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.199 1.25 1000
Water 18.2 360 1000
Soil 80.6 720 1000
Sediment 1.08 3.24e+003 0
Persistence Time: 411 hr