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CAS Num: 064644-32-2
SMILES : O=COCC(CC(C(CC1C2)C2)C13)C3
CHEM : 4,7-Methano-1H-indene-2-methanol, octahydro-, formate
MOL FOR: C12 H18 O2
MOL WT : 194.28
------------------------------ 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) = 3.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 249.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 42.26 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0188 (Modified Grain method)
VP (Pa, 25 deg C) : 2.5 (Modified Grain method)
Subcooled liquid VP: 0.0269 mm Hg (25 deg C, Mod-Grain method)
: 3.59 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 126.8
log Kow used: 3.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19.036 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.50E-004 atm-m3/mole (3.54E+001 Pa-m3/mole)
Group Method: 2.34E-005 atm-m3/mole (2.37E+000 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: 3.790E-005 atm-m3/mole (3.840E+000 Pa-m3/mole)
VP: 0.0188 mm Hg (source: MPBPVP)
WS: 127 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.01 (KowWin est)
Log Kaw used: -1.844 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.854
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8292
Biowin2 (Non-Linear Model) : 0.9870
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9101 (weeks )
Biowin4 (Primary Survey Model) : 3.7964 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6882
Biowin6 (MITI Non-Linear Model): 0.5813
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6311
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): 3.59 Pa (0.0269 mm Hg)
Log Koa (Koawin est ): 4.854
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.36E-007
Octanol/air (Koa) model: 1.75E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.02E-005
Mackay model : 6.69E-005
Octanol/air (Koa) model: 1.4E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.2595 E-12 cm3/molecule-sec
Half-Life = 0.750 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.001 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.86E-005 (Junge-Pankow, Mackay avg)
1.4E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 776.4 L/kg (MCI method)
Log Koc: 2.890 (MCI method)
Koc : 334.5 L/kg (Kow method)
Log Koc: 2.524 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.316E+000 L/mol-sec
Kb Half-Life at pH 8: 23.152 hours
Kb Half-Life at pH 7: 9.647 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.650 (BCF = 44.69 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6558 days (HL = 0.2209 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.688 (BCF = 48.78)
Log BAF Arnot-Gobas method (upper trophic) = 1.688 (BAF = 48.78)
log Kow used: 3.01 (estimated)
Volatilization from Water:
Henry LC: 2.34E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 36.3 hours (1.512 days)
Half-Life from Model Lake : 512.8 hours (21.37 days)
Removal In Wastewater Treatment:
Total removal: 6.96 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.61 percent
Total to Air: 1.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.6 18 1000
Water 23.6 360 1000
Soil 74.1 720 1000
Sediment 0.672 3.24e+003 0
Persistence Time: 459 hr