This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 000091-57-6
SMILES : c(c(ccc1C)ccc2)(c2)c1
CHEM : Naphthalene, 2-methyl-
MOL FOR: C11 H10
MOL WT : 142.20
------------------------------ 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) = 3.72
Log Kow (Exper. database match) = 3.86
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 249.60 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0345 (Modified Grain method)
VP (Pa, 25 deg C) : 4.61 (Modified Grain method)
MP (exp database): 34.4 deg C
BP (exp database): 241.1 deg C
VP (exp database): 5.50E-02 mm Hg (7.33E+000 Pa) at 25 deg C
Subcooled liquid VP: 0.0681 mm Hg (25 deg C, exp database VP )
: 9.08 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 41.42
log Kow used: 3.86 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 24.6 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 12.881 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.80E-004 atm-m3/mole (5.88E+001 Pa-m3/mole)
Group Method: 3.97E-004 atm-m3/mole (4.02E+001 Pa-m3/mole)
Exper Database: 5.18E-04 atm-m3/mole (5.25E+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: 1.558E-004 atm-m3/mole (1.579E+001 Pa-m3/mole)
VP: 0.0345 mm Hg (source: MPBPVP)
WS: 41.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.86 (exp database)
Log Kaw used: -1.674 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.534
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7345
Biowin2 (Non-Linear Model) : 0.8273
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8101 (weeks )
Biowin4 (Primary Survey Model) : 3.5740 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3881
Biowin6 (MITI Non-Linear Model): 0.3938
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2037
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.9489
BioHC Half-Life (days) : 8.8890
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 9.08 Pa (0.0681 mm Hg)
Log Koa (Koawin est ): 5.534
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.3E-007
Octanol/air (Koa) model: 8.39E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.19E-005
Mackay model : 2.64E-005
Octanol/air (Koa) model: 6.72E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 56.5249 E-12 cm3/molecule-sec
Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.271 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.92E-005 (Junge-Pankow, Mackay avg)
6.72E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2478 L/kg (MCI method)
Log Koc: 3.394 (MCI method)
Koc : 2237 L/kg (Kow method)
Log Koc: 3.350 (Kow method)
Experimental Log Koc: 3.6 (database)
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 = 2.214 (BCF = 163.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5164 days (HL = 3.284 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.810 (BCF = 646.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.823 (BAF = 665.9)
log Kow used: 3.86 (expkow database)
Volatilization from Water:
Henry LC: 0.000518 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2.565 hours
Half-Life from Model Lake : 128 hours (5.332 days)
Removal In Wastewater Treatment:
Total removal: 36.59 percent
Total biodegradation: 0.24 percent
Total sludge adsorption: 22.07 percent
Total to Air: 14.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.747 4.91 1000
Water 17.5 360 1000
Soil 80.4 720 1000
Sediment 1.39 3.24e+003 0
Persistence Time: 414 hr