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CAS Number: 72937-55-4
SMILES : CC1CCC(c2c1ccc(c2)C)C(C)C
CHEM : (1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
MOL FOR: C15 H22
MOL WT : 202.34
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 6.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 270.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 38.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00682 (Modified Grain method)
VP (Pa, 25 deg C) : 0.909 (Modified Grain method)
Subcooled liquid VP: 0.00901 mm Hg (25 deg C, Mod-Grain method)
: 1.2 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.1962
log Kow used: 6.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.24862 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.75E-002 atm-m3/mole (1.77E+003 Pa-m3/mole)
Group Method: 8.29E-003 atm-m3/mole (8.40E+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: 9.255E-003 atm-m3/mole (9.377E+002 Pa-m3/mole)
VP: 0.00682 mm Hg (source: MPBPVP)
WS: 0.196 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.25 (KowWin est)
Log Kaw used: -0.145 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.395
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8152
Biowin2 (Non-Linear Model) : 0.8661
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5275 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3502 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1468
Biowin6 (MITI Non-Linear Model): 0.1556
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6293
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.0162
BioHC Half-Life (days) : 10.3799
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.2 Pa (0.00901 mm Hg)
Log Koa (Koawin est ): 6.395
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.5E-006
Octanol/air (Koa) model: 6.1E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.02E-005
Mackay model : 0.0002
Octanol/air (Koa) model: 4.88E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 25.7039 E-12 cm3/molecule-sec
Half-Life = 0.416 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.993 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000145 (Junge-Pankow, Mackay avg)
4.88E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.981E+004 L/kg (MCI method)
Log Koc: 4.297 (MCI method)
Koc : 2.654E+005 L/kg (Kow method)
Log Koc: 5.424 (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 = 3.790 (BCF = 6163 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9912 days (HL = 9.799 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.423 (BCF = 2649)
Log BAF Arnot-Gobas method (upper trophic) = 4.284 (BAF = 1.924e+004)
log Kow used: 6.25 (estimated)
Volatilization from Water:
Henry LC: 0.00829 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.552 hours
Half-Life from Model Lake : 136.2 hours (5.675 days)
Removal In Wastewater Treatment:
Total removal: 93.52 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 89.58 percent
Total to Air: 3.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.784 9.99 1000
Water 9.09 900 1000
Soil 80.6 1.8e+003 1000
Sediment 9.55 8.1e+003 0
Persistence Time: 906 hr