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 Num: 081836-13-7
SMILES : C=C1C(C2C3C(C1C2)C(=CC3)C)OC(=O)C
CHEM : 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methyle
ne-, acetate, (3aa,4a,6a,7a,7aa)-
MOL FOR: C14 H18 O2
MOL WT : 218.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
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) = 3.81
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 278.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 67.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00247 (Modified Grain method)
VP (Pa, 25 deg C) : 0.329 (Modified Grain method)
Subcooled liquid VP: 0.00614 mm Hg (25 deg C, Mod-Grain method)
: 0.818 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 19.78
log Kow used: 3.81 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.4107 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.10E-004 atm-m3/mole (3.14E+001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.587E-005 atm-m3/mole (3.634E+000 Pa-m3/mole)
VP: 0.00247 mm Hg (source: MPBPVP)
WS: 19.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.81 (KowWin est)
Log Kaw used: -1.897 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.707
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8178
Biowin2 (Non-Linear Model) : 0.9818
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8570 (weeks )
Biowin4 (Primary Survey Model) : 3.7617 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5275
Biowin6 (MITI Non-Linear Model): 0.2010
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5854
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): 0.819 Pa (0.00614 mm Hg)
Log Koa (Koawin est ): 5.707
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.66E-006
Octanol/air (Koa) model: 1.25E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000132
Mackay model : 0.000293
Octanol/air (Koa) model: 1E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 147.5974 E-12 cm3/molecule-sec
Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.870 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec
Half-Life = 0.026 Days (at 7E11 mol/cm3)
Half-Life = 37.336 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000213 (Junge-Pankow, Mackay avg)
1E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1823 L/kg (MCI method)
Log Koc: 3.261 (MCI method)
Koc : 926.7 L/kg (Kow method)
Log Koc: 2.967 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.805E-003 L/mol-sec
Kb Half-Life at pH 8: 7.829 years
Kb Half-Life at pH 7: 78.287 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.178 (BCF = 150.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0021 days (HL = 1.005 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.415 (BCF = 259.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.415 (BAF = 259.9)
log Kow used: 3.81 (estimated)
Volatilization from Water:
Henry LC: 0.00031 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.298 hours
Half-Life from Model Lake : 170.8 hours (7.116 days)
Removal In Wastewater Treatment:
Total removal: 30.90 percent
Total biodegradation: 0.23 percent
Total sludge adsorption: 20.82 percent
Total to Air: 9.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0712 0.458 1000
Water 18.6 360 1000
Soil 80.2 720 1000
Sediment 1.12 3.24e+003 0
Persistence Time: 416 hr