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CAS Number: 477218-42-1
SMILES : CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C2CC2
CHEM : 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarbo
xylate
MOL FOR: C18 H32 O3
MOL WT : 296.45
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.82
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 327.54 (Adapted Stein & Brown method)
Melting Pt (deg C): 97.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.94E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0119 (Modified Grain method)
Subcooled liquid VP: 0.000447 mm Hg (25 deg C, Mod-Grain method)
: 0.0596 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1391
log Kow used: 5.82 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.045 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.11E-005 atm-m3/mole (2.13E+000 Pa-m3/mole)
Group Method: 1.12E-006 atm-m3/mole (1.13E-001 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: 2.507E-004 atm-m3/mole (2.540E+001 Pa-m3/mole)
VP: 8.94E-005 mm Hg (source: MPBPVP)
WS: 0.139 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.82 (KowWin est)
Log Kaw used: -3.064 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.884
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0654
Biowin2 (Non-Linear Model) : 0.0180
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2513 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3324 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4547
Biowin6 (MITI Non-Linear Model): 0.2127
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0967
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): 0.0596 Pa (0.000447 mm Hg)
Log Koa (Koawin est ): 8.884
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.03E-005
Octanol/air (Koa) model: 0.000188
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00181
Mackay model : 0.00401
Octanol/air (Koa) model: 0.0148
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.5771 E-12 cm3/molecule-sec
Half-Life = 0.350 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.198 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00291 (Junge-Pankow, Mackay avg)
0.0148 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3020 L/kg (MCI method)
Log Koc: 3.480 (MCI method)
Koc : 9730 L/kg (Kow method)
Log Koc: 3.988 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.971E-003 L/mol-sec
Kb Half-Life at pH 8: 5.531 years
Kb Half-Life at pH 7: 55.309 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.245 (BCF = 175.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2294 days (HL = 0.5897 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.342 (BCF = 219.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.347 (BAF = 222.4)
log Kow used: 5.82 (estimated)
Volatilization from Water:
Henry LC: 1.12E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 901.8 hours (37.58 days)
Half-Life from Model Lake : 9982 hours (415.9 days)
Removal In Wastewater Treatment:
Total removal: 91.21 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 90.45 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.32 8.4 1000
Water 17.1 900 1000
Soil 79.7 1.8e+003 1000
Sediment 2.87 8.1e+003 0
Persistence Time: 1.1e+003 hr