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CAS Num: 002173-57-1

SMILES : O(c(ccc(c1ccc2)c2)c1)CC(C)C

CHEM : Naphthalene, 2-(2-methylpropoxy)-

MOL FOR: C14 H16 O1

MOL WT : 200.28

------------------------------ 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) = 4.65

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 304.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 58.68 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00136 (Modified Grain method)

VP (Pa, 25 deg C) : 0.182 (Modified Grain method)

MP (exp database): 31 deg C

Subcooled liquid VP: 0.00154 mm Hg (25 deg C, Mod-Grain method)

: 0.205 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 4.664

log Kow used: 4.65 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.23 mg/L ( deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.1745 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 7.28E-005 atm-m3/mole (7.38E+000 Pa-m3/mole)

Group Method: 9.74E-004 atm-m3/mole (9.87E+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: 7.684E-005 atm-m3/mole (7.786E+000 Pa-m3/mole)

VP: 0.00136 mm Hg (source: MPBPVP)

WS: 4.66 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 4.65 (KowWin est)

Log Kaw used: -2.526 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.176

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7841

Biowin2 (Non-Linear Model) : 0.9178

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6985 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6359 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3686

Biowin6 (MITI Non-Linear Model): 0.3265

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0471

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): 0.205 Pa (0.00154 mm Hg)

Log Koa (Koawin est ): 7.176

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.46E-005

Octanol/air (Koa) model: 3.68E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000527

Mackay model : 0.00117

Octanol/air (Koa) model: 0.000294

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 214.1324 E-12 cm3/molecule-sec

Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.599 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000847 (Junge-Pankow, Mackay avg)

0.000294 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5038 L/kg (MCI method)

Log Koc: 3.702 (MCI method)

Koc : 3573 L/kg (Kow method)

Log Koc: 3.553 (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 = 2.735 (BCF = 543.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7731 days (HL = 5.93 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.788 (BCF = 613.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.791 (BAF = 618)

log Kow used: 4.65 (estimated)

Volatilization from Water:

Henry LC: 0.000974 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.295 hours

Half-Life from Model Lake : 143.7 hours (5.987 days)

Removal In Wastewater Treatment:

Total removal: 69.94 percent

Total biodegradation: 0.50 percent

Total sludge adsorption: 58.64 percent

Total to Air: 10.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.1 1.2 1000

Water 9.76 900 1000

Soil 87.3 1.8e+003 1000

Sediment 2.83 8.1e+003 0

Persistence Time: 908 hr

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