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CAS Num: 037172-02-4
SMILES : O=C(OC(C=C)(C(CCC1)C(CC)C)C1)C
CHEM : Cyclohexanol, 1-ethenyl-2-(1-methylpropyl)-, acetate
MOL FOR: C14 H24 O2
MOL WT : 224.35
------------------------------ 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) = 5.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 264.06 (Adapted Stein & Brown method)
Melting Pt (deg C): 33.76 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0107 (Modified Grain method)
VP (Pa, 25 deg C) : 1.43 (Modified Grain method)
Subcooled liquid VP: 0.0129 mm Hg (25 deg C, Mod-Grain method)
: 1.72 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.034
log Kow used: 5.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.4789 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 : 1.30E-003 atm-m3/mole (1.32E+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: 3.055E-003 atm-m3/mole (3.095E+002 Pa-m3/mole)
VP: 0.0107 mm Hg (source: MPBPVP)
WS: 1.03 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.27 (KowWin est)
Log Kaw used: -1.275 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.545
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6310
Biowin2 (Non-Linear Model) : 0.8984
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6315 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5996 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5660
Biowin6 (MITI Non-Linear Model): 0.5460
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3660
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): 1.72 Pa (0.0129 mm Hg)
Log Koa (Koawin est ): 6.545
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.74E-006
Octanol/air (Koa) model: 8.61E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.3E-005
Mackay model : 0.00014
Octanol/air (Koa) model: 6.89E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.0228 E-12 cm3/molecule-sec
Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.207 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.000101 (Junge-Pankow, Mackay avg)
6.89E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1740 L/kg (MCI method)
Log Koc: 3.241 (MCI method)
Koc : 5950 L/kg (Kow method)
Log Koc: 3.775 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec
Kb Half-Life at pH 8: 266.184 days
Kb Half-Life at pH 7: 7.288 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.143 (BCF = 1390 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2897 days (HL = 0.5132 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.319 (BCF = 208.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.320 (BAF = 208.9)
log Kow used: 5.27 (estimated)
Volatilization from Water:
Henry LC: 0.0013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.203 hours
Half-Life from Model Lake : 149.6 hours (6.234 days)
Removal In Wastewater Treatment:
Total removal: 86.12 percent
Total biodegradation: 0.67 percent
Total sludge adsorption: 80.73 percent
Total to Air: 4.73 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.654 6.16 1000
Water 11.8 900 1000
Soil 86.5 1.8e+003 1000
Sediment 1.14 8.1e+003 0
Persistence Time: 744 hr