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CAS Number: 6301-70-8
SMILES : C1(OC(=O)CCCCCCCCCCC)CCCCC1
CHEM : cyclohexyl dodecanoate
MOL FOR: C18 H34 O2
MOL WT : 282.47
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 7.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 342.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 77.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.28E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00837 (Modified Grain method)
Subcooled liquid VP: 0.000199 mm Hg (25 deg C, Mod-Grain method)
: 0.0265 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.005492
log Kow used: 7.55 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.025222 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.42E-003 atm-m3/mole (5.49E+002 Pa-m3/mole)
Group Method: 3.79E-003 atm-m3/mole (3.84E+002 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: 4.250E-003 atm-m3/mole (4.306E+002 Pa-m3/mole)
VP: 6.28E-005 mm Hg (source: MPBPVP)
WS: 0.00549 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.55 (KowWin est)
Log Kaw used: -0.654 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.204
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8957
Biowin2 (Non-Linear Model) : 0.9928
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0135 (weeks )
Biowin4 (Primary Survey Model) : 3.9382 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8212
Biowin6 (MITI Non-Linear Model): 0.8989
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3099
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): 0.0265 Pa (0.000199 mm Hg)
Log Koa (Koawin est ): 8.204
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000113
Octanol/air (Koa) model: 3.93E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00407
Mackay model : 0.00896
Octanol/air (Koa) model: 0.00313
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.7379 E-12 cm3/molecule-sec
Half-Life = 0.432 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.188 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00652 (Junge-Pankow, Mackay avg)
0.00313 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.661E+004 L/kg (MCI method)
Log Koc: 4.425 (MCI method)
Koc : 1.086E+005 L/kg (Kow method)
Log Koc: 5.036 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.104E-003 L/mol-sec
Kb Half-Life at pH 8: 3.092 years
Kb Half-Life at pH 7: 30.917 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.256 (BCF = 1804 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3146 days (HL = 2.063 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.003 (BCF = 100.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.710 (BAF = 513.2)
log Kow used: 7.55 (estimated)
Volatilization from Water:
Henry LC: 0.00379 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.975 hours
Half-Life from Model Lake : 162.5 hours (6.769 days)
Removal In Wastewater Treatment:
Total removal: 93.99 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.13 percent
Total to Air: 0.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.18 10.4 1000
Water 19.1 360 1000
Soil 74.3 720 1000
Sediment 5.4 3.24e+003 0
Persistence Time: 456 hr