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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

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