SMILES : O=C(OC(CCC(C1CCC2)C2)C1)C
CHEM : 2-Naphthalenol, decahydro-, acetate
CAS NUM: 010519-11-6
MOL FOR: C12 H20 O2
MOL WT : 196.29
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 3.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 255.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 23.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0208 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 33.98
log Kow used: 3.66 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 78.557 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.37E-004 atm-m3/mole
Group Method: 7.92E-005 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.581E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.66 (KowWin est)
Log Kaw used: -1.748 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.408
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8283
Biowin2 (Non-Linear Model) : 0.9866
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9056 (weeks )
Biowin4 (Primary Survey Model) : 3.7935 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6477
Biowin6 (MITI Non-Linear Model): 0.6438
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2066
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.75 Pa (0.0206 mm Hg)
Log Koa (Koawin est ): 5.408
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.09E-006
Octanol/air (Koa) model: 6.28E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.94E-005
Mackay model : 8.74E-005
Octanol/air (Koa) model: 5.02E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.8497 E-12 cm3/molecule-sec
Half-Life = 0.490 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.874 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 6.34E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 805
Log Koc: 2.906
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec
Kb Half-Life at pH 8: 266.184 days
Kb Half-Life at pH 7: 7.288 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.121 (BCF = 132.1)
log Kow used: 3.66 (estimated)
Volatilization from Water:
Henry LC: 7.92E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 19.63 hours
Half-Life from Model Lake : 246.1 hours (10.25 days)
Removal In Wastewater Treatment:
Total removal: 20.22 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 16.70 percent
Total to Air: 3.32 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.27 11.7 1000
Water 21.2 360 1000
Soil 76.2 720 1000
Sediment 1.31 3.24e+003 0
Persistence Time: 448 hr