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CAS Num: 029239-07-4
SMILES : C1(C)=CCC(C(C)=C)CC1OC=O
CHEM : 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, formate
MOL FOR: C11 H16 O2
MOL WT : 180.25
------------------------------ 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) = 3.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 228.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 9.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0838 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 11.2 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 34.63
log Kow used: 3.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 140.25 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.24E-003 atm-m3/mole (1.25E+002 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: 5.739E-004 atm-m3/mole (5.815E+001 Pa-m3/mole)
VP: 0.0838 mm Hg (source: MPBPVP)
WS: 34.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.75 (KowWin est)
Log Kaw used: -1.295 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.045
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8359
Biowin2 (Non-Linear Model) : 0.9893
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9411 (weeks )
Biowin4 (Primary Survey Model) : 3.8166 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6034
Biowin6 (MITI Non-Linear Model): 0.5267
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4671
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): 10.5 Pa (0.0789 mm Hg)
Log Koa (Koawin est ): 5.045
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.85E-007
Octanol/air (Koa) model: 2.72E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.03E-005
Mackay model : 2.28E-005
Octanol/air (Koa) model: 2.18E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 147.8868 E-12 cm3/molecule-sec
Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.868 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):
1.66E-005 (Junge-Pankow, Mackay avg)
2.18E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 321.6 L/kg (MCI method)
Log Koc: 2.507 (MCI method)
Koc : 858.5 L/kg (Kow method)
Log Koc: 2.934 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.765E+000 L/mol-sec
Kb Half-Life at pH 8: 2.131 days
Kb Half-Life at pH 7: 21.305 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.139 (BCF = 137.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6036 days (HL = 0.2491 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.953 (BCF = 89.67)
Log BAF Arnot-Gobas method (upper trophic) = 1.953 (BAF = 89.67)
log Kow used: 3.75 (estimated)
Volatilization from Water:
Henry LC: 0.00124 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.004 hours
Half-Life from Model Lake : 134.4 hours (5.601 days)
Removal In Wastewater Treatment:
Total removal: 44.95 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 17.05 percent
Total to Air: 27.72 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.145 0.458 1000
Water 24.8 360 1000
Soil 74.8 720 1000
Sediment 0.341 3.24e+003 0
Persistence Time: 274 hr