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CAS Num: 000475-03-6
SMILES : c(c(ccc1C)C(CC2)(C)C)(c1)C2
CHEM : Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-
MOL FOR: C13 H18
MOL WT : 174.29
------------------------------ 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) = 5.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 242.94 (Adapted Stein & Brown method)
Melting Pt (deg C): 40.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0321 (Modified Grain method)
VP (Pa, 25 deg C) : 4.28 (Modified Grain method)
BP (exp database): 240 deg C
Subcooled liquid VP: 0.0444 mm Hg (25 deg C, Mod-Grain method)
: 5.92 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.505
log Kow used: 5.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.1348 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.92E-003 atm-m3/mole (1.00E+003 Pa-m3/mole)
Group Method: 2.39E-003 atm-m3/mole (2.42E+002 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: 4.891E-003 atm-m3/mole (4.956E+002 Pa-m3/mole)
VP: 0.0321 mm Hg (source: MPBPVP)
WS: 1.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.38 (KowWin est)
Log Kaw used: -0.392 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.772
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5900
Biowin2 (Non-Linear Model) : 0.4912
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4522 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3058 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3119
Biowin6 (MITI Non-Linear Model): 0.2589
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6772
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.4639
BioHC Half-Life (days) : 2.9097
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 5.92 Pa (0.0444 mm Hg)
Log Koa (Koawin est ): 5.772
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.07E-007
Octanol/air (Koa) model: 1.45E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.83E-005
Mackay model : 4.05E-005
Octanol/air (Koa) model: 1.16E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.6195 E-12 cm3/molecule-sec
Half-Life = 0.545 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.542 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.94E-005 (Junge-Pankow, Mackay avg)
1.16E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5980 L/kg (MCI method)
Log Koc: 3.777 (MCI method)
Koc : 4.666E+004 L/kg (Kow method)
Log Koc: 4.669 (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 = 3.214 (BCF = 1637 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8539 days (HL = 7.143 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.361 (BCF = 2294)
Log BAF Arnot-Gobas method (upper trophic) = 3.526 (BAF = 3359)
log Kow used: 5.38 (estimated)
Volatilization from Water:
Henry LC: 0.00239 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.671 hours
Half-Life from Model Lake : 128.9 hours (5.372 days)
Removal In Wastewater Treatment:
Total removal: 88.42 percent
Total biodegradation: 0.66 percent
Total sludge adsorption: 81.42 percent
Total to Air: 6.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.06 13.1 1000
Water 9.74 900 1000
Soil 85.9 1.8e+003 1000
Sediment 3.33 8.1e+003 0
Persistence Time: 854 hr