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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)
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
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