SMILES : CCOC(=O)C(C)C1CCCCC1
CHEM : ethyl 2-cyclohexylpropanoate
MOL FOR: C11 H20 O2
MOL WT : 184.28
------------------------------ 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) = 4.04
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 226.74 (Adapted Stein & Brown method)
Melting Pt (deg C): -3.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0926 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 18.52
log Kow used: 4.04 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 158.37 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 7.46E-004 atm-m3/mole
Group Method: 3.79E-004 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.212E-003 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.04 (KowWin est)
Log Kaw used: -1.516 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.556
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8340
Biowin2 (Non-Linear Model) : 0.9887
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9321 (weeks )
Biowin4 (Primary Survey Model) : 3.8108 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6183
Biowin6 (MITI Non-Linear Model): 0.7453
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1483
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): 11.6 Pa (0.0869 mm Hg)
Log Koa (Koawin est ): 5.556
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.59E-007
Octanol/air (Koa) model: 8.83E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.35E-006
Mackay model : 2.07E-005
Octanol/air (Koa) model: 7.06E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 13.2440 E-12 cm3/molecule-sec
Half-Life = 0.808 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.691 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 1.5E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 436.1
Log Koc: 2.640
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 4.371E-002 L/mol-sec
Kb Half-Life at pH 8: 183.520 days
Kb Half-Life at pH 7: 5.024 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.413 (BCF = 258.7)
log Kow used: 4.04 (estimated)
Volatilization from Water:
Henry LC: 0.000379 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 7.112 hours
Half-Life from Model Lake : 151.8 hours (6.326 days)
Removal In Wastewater Treatment:
Total removal: 40.24 percent
Total biodegradation: 0.30 percent
Total sludge adsorption: 29.88 percent
Total to Air: 10.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.25 19.4 1000
Water 17.3 360 1000
Soil 78.1 720 1000
Sediment 2.4 3.24e+003 0
Persistence Time: 436 hr