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CAS Number: 86-86-2
SMILES : O=C(N)Cc(c(c(ccc1)cc2)c1)c2
CHEM : 1-Naphthaleneacetamide
MOL FOR: C12 H11 N1 O1
MOL WT : 185.23
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 1.72
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 380.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 138.50 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.41E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 7.22E-005 (Modified Grain method)
MP (exp database): 184 deg C
Subcooled liquid VP: 2.47E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00329 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1758
log Kow used: 1.72 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 39 mg/L (40 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 539.49 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.81E-011 atm-m3/mole (8.93E-006 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.500E-011 atm-m3/mole (7.600E-006 Pa-m3/mole)
VP: 5.41E-007 mm Hg (source: MPBPVP)
WS: 1.76E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.72 (KowWin est)
Log Kaw used: -8.443 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.163
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9242
Biowin2 (Non-Linear Model) : 0.9746
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6608 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7174 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2895
Biowin6 (MITI Non-Linear Model): 0.2280
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5216
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): 0.00329 Pa (2.47E-005 mm Hg)
Log Koa (Koawin est ): 10.163
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000911
Octanol/air (Koa) model: 0.00357
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0319
Mackay model : 0.0679
Octanol/air (Koa) model: 0.222
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 56.3732 E-12 cm3/molecule-sec
Half-Life = 0.190 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.277 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0499 (Junge-Pankow, Mackay avg)
0.222 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1264 L/kg (MCI method)
Log Koc: 3.102 (MCI method)
Koc : 74.59 L/kg (Kow method)
Log Koc: 1.873 (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 v3.01):
Log BCF from regression-based method = 0.803 (BCF = 6.353 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0956 days (HL = 0.08023 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.673 (BCF = 4.712)
Log BAF Arnot-Gobas method (upper trophic) = 0.673 (BAF = 4.712)
log Kow used: 1.72 (estimated)
Volatilization from Water:
Henry LC: 8.81E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.045E+006 hours (3.769E+005 days)
Half-Life from Model Lake : 9.867E+007 hours (4.111E+006 days)
Removal In Wastewater Treatment:
Total removal: 2.06 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.96 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.000732 4.55 1000
Water 11.6 900 1000
Soil 87.5 1.8e+003 1000
Sediment 0.822 8.1e+003 0
Persistence Time: 1.83e+003 hr