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CAS Number: 119-64-2
SMILES : c(c(ccc1)CCC2)(c1)C2
CHEM : Naphthalene, 1,2,3,4-tetrahydro-
MOL FOR: C10 H12
MOL WT : 132.21
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 3.96
Log Kow (Exper. database match) = 3.49
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 201.83 (Adapted Stein & Brown method)
Melting Pt (deg C): -4.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.246 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 32.8 (Mean VP of Antoine & Grain methods)
MP (exp database): -35.7 deg C
BP (exp database): 102-104 @ 30 mm Hg deg C
VP (exp database): 3.68E-01 mm Hg (4.91E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 94.26
log Kow used: 3.49 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 47 mg/L (28 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 42.05 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.10E-003 atm-m3/mole (5.17E+002 Pa-m3/mole)
Group Method: 1.69E-003 atm-m3/mole (1.71E+002 Pa-m3/mole)
Exper Database: 1.36E-03 atm-m3/mole (1.38E+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: 4.540E-004 atm-m3/mole (4.600E+001 Pa-m3/mole)
VP: 0.246 mm Hg (source: MPBPVP)
WS: 94.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.49 (exp database)
Log Kaw used: -1.255 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.745
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7939
Biowin2 (Non-Linear Model) : 0.9077
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7573 (weeks )
Biowin4 (Primary Survey Model) : 3.5199 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2798
Biowin6 (MITI Non-Linear Model): 0.3574
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0292
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.1656
BioHC Half-Life (days) : 1.4641
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 49.1 Pa (0.368 mm Hg)
Log Koa (Koawin est ): 4.745
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.11E-008
Octanol/air (Koa) model: 1.36E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.21E-006
Mackay model : 4.89E-006
Octanol/air (Koa) model: 1.09E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.0266 E-12 cm3/molecule-sec
Half-Life = 0.970 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.640 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.55E-006 (Junge-Pankow, Mackay avg)
1.09E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1544 L/kg (MCI method)
Log Koc: 3.189 (MCI method)
Koc : 1068 L/kg (Kow method)
Log Koc: 3.029 (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 = 1.970 (BCF = 93.26 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2075 days (HL = 1.612 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.459 (BCF = 287.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.461 (BAF = 289)
log Kow used: 3.49 (expkow database)
Volatilization from Water:
Henry LC: 0.00136 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.668 hours
Half-Life from Model Lake : 114.6 hours (4.776 days)
Removal In Wastewater Treatment:
Total removal: 42.55 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 10.58 percent
Total to Air: 31.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.35 7.48 1000
Water 17.8 360 1000
Soil 79.9 720 1000
Sediment 0.924 3.24e+003 0
Persistence Time: 373 hr