SMILES : OC(CCC(C1CCC2)C2)C1
CHEM : 2-Naphthalenol, decahydro-
CAS NUM: 000825-51-4
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 2.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 240.31 (Adapted Stein & Brown method)
Melting Pt (deg C): 17.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00606 (Mean VP of Antoine & Grain methods)
BP (exp database): 109 @ 14 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1263
log Kow used: 2.66 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1371.8 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 6.70E-006 atm-m3/mole
Group Method: 2.45E-006 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 9.738E-007 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.66 (KowWin est)
Log Kaw used: -3.562 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.222
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8328
Biowin2 (Non-Linear Model) : 0.8739
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0183 (weeks )
Biowin4 (Primary Survey Model) : 3.7546 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5898
Biowin6 (MITI Non-Linear Model): 0.5852
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2471
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): 0.768 Pa (0.00576 mm Hg)
Log Koa (Koawin est ): 6.222
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.91E-006
Octanol/air (Koa) model: 4.09E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000141
Mackay model : 0.000312
Octanol/air (Koa) model: 3.27E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 27.5241 E-12 cm3/molecule-sec
Half-Life = 0.389 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.663 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.000227 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 90.01
Log Koc: 1.954
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.347 (BCF = 22.22)
log Kow used: 2.66 (estimated)
Volatilization from Water:
Henry LC: 2.45E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 448.8 hours (18.7 days)
Half-Life from Model Lake : 3356 hours (139.8 days)
Removal In Wastewater Treatment:
Total removal: 3.78 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.53 percent
Total to Air: 0.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.874 9.33 1000
Water 26.4 360 1000
Soil 72.5 720 1000
Sediment 0.24 3.24e+003 0
Persistence Time: 453 hr