This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 65588-69-4
SMILES : CC1(CCCC2(C1CCC3C2CCO3)C)C
CHEM : 6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydronaphtho[2,1-b]furan
MOL FOR: C15 H26 O1
MOL WT : 222.37
------------------------------ 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) = 4.30
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 269.15 (Adapted Stein & Brown method)
Melting Pt (deg C): 59.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00804 (Modified Grain method)
VP (Pa, 25 deg C) : 1.07 (Modified Grain method)
Subcooled liquid VP: 0.0168 mm Hg (25 deg C, Mod-Grain method)
: 2.24 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.07
log Kow used: 4.30 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.0953 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.70E-004 atm-m3/mole (3.75E+001 Pa-m3/mole)
Group Method: 2.13E-004 atm-m3/mole (2.16E+001 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: 3.327E-004 atm-m3/mole (3.371E+001 Pa-m3/mole)
VP: 0.00804 mm Hg (source: MPBPVP)
WS: 7.07 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.30 (KowWin est)
Log Kaw used: -1.820 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.120
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0735
Biowin2 (Non-Linear Model) : 0.0009
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2748 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2103 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3639
Biowin6 (MITI Non-Linear Model): 0.1327
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0501
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.24 Pa (0.0168 mm Hg)
Log Koa (Koawin est ): 6.120
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.34E-006
Octanol/air (Koa) model: 3.24E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.84E-005
Mackay model : 0.000107
Octanol/air (Koa) model: 2.59E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.0043 E-12 cm3/molecule-sec
Half-Life = 0.334 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.010 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.78E-005 (Junge-Pankow, Mackay avg)
2.59E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4555 L/kg (MCI method)
Log Koc: 3.659 (MCI method)
Koc : 1633 L/kg (Kow method)
Log Koc: 3.213 (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 = 2.506 (BCF = 320.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6896 days (HL = 4.894 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.009 (BCF = 1021)
Log BAF Arnot-Gobas method (upper trophic) = 3.019 (BAF = 1044)
log Kow used: 4.30 (estimated)
Volatilization from Water:
Henry LC: 0.00037 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.881 hours
Half-Life from Model Lake : 167.4 hours (6.974 days)
Removal In Wastewater Treatment:
Total removal: 51.05 percent
Total biodegradation: 0.40 percent
Total sludge adsorption: 42.80 percent
Total to Air: 7.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.534 8.02 1000
Water 10.6 900 1000
Soil 86.1 1.8e+003 1000
Sediment 2.78 8.1e+003 0
Persistence Time: 965 hr