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CAS Num: 010484-56-7
SMILES : O(c(ccc(c1ccc2)c2)c1)CCCC
CHEM : Naphthalene, 2-butoxy-
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) = 4.72
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 312.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 68.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00038 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0506 (Modified Grain method)
Subcooled liquid VP: 0.000977 mm Hg (25 deg C, Mod-Grain method)
: 0.13 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.036
log Kow used: 4.72 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.7008 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: 8.10E-004 atm-m3/mole (8.21E+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: 2.481E-005 atm-m3/mole (2.514E+000 Pa-m3/mole)
VP: 0.00038 mm Hg (source: MPBPVP)
WS: 4.04 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.72 (KowWin est)
Log Kaw used: -2.526 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.246
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8925
Biowin2 (Non-Linear Model) : 0.9860
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9968 (weeks )
Biowin4 (Primary Survey Model) : 3.9050 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5177
Biowin6 (MITI Non-Linear Model): 0.5536
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0268
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): 0.13 Pa (0.000977 mm Hg)
Log Koa (Koawin est ): 7.246
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.3E-005
Octanol/air (Koa) model: 4.33E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000831
Mackay model : 0.00184
Octanol/air (Koa) model: 0.000346
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 212.3448 E-12 cm3/molecule-sec
Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.604 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00134 (Junge-Pankow, Mackay avg)
0.000346 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5989 L/kg (MCI method)
Log Koc: 3.777 (MCI method)
Koc : 3907 L/kg (Kow method)
Log Koc: 3.592 (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 = 2.783 (BCF = 607.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8243 days (HL = 6.673 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.248 (BCF = 1772)
Log BAF Arnot-Gobas method (upper trophic) = 3.290 (BAF = 1951)
log Kow used: 4.72 (estimated)
Volatilization from Water:
Henry LC: 0.00081 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.467 hours
Half-Life from Model Lake : 145.6 hours (6.066 days)
Removal In Wastewater Treatment:
Total removal: 71.55 percent
Total biodegradation: 0.53 percent
Total sludge adsorption: 62.56 percent
Total to Air: 8.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.193 1.21 1000
Water 16.4 360 1000
Soil 80.5 720 1000
Sediment 2.98 3.24e+003 0
Persistence Time: 420 hr