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CAS Num: 010024-57-4
SMILES : CCCCCCCCCCCC(=O)Oc1ccc(C)cc1
CHEM :
MOL FOR: C19 H30 O2
MOL WT : 290.45
------------------------------ 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) = 7.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 363.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 105.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.03E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00137 (Modified Grain method)
Subcooled liquid VP: 6.29E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00839 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.01335
log Kow used: 7.05 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0071112 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.22E-003 atm-m3/mole (1.23E+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: 2.949E-004 atm-m3/mole (2.988E+001 Pa-m3/mole)
VP: 1.03E-005 mm Hg (source: MPBPVP)
WS: 0.0134 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.05 (KowWin est)
Log Kaw used: -1.302 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.352
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9466
Biowin2 (Non-Linear Model) : 0.9954
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9210 (weeks )
Biowin4 (Primary Survey Model) : 3.8582 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7607
Biowin6 (MITI Non-Linear Model): 0.8441
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1170
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): 0.00839 Pa (6.29E-005 mm Hg)
Log Koa (Koawin est ): 8.352
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000358
Octanol/air (Koa) model: 5.52E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0128
Mackay model : 0.0278
Octanol/air (Koa) model: 0.0044
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.8515 E-12 cm3/molecule-sec
Half-Life = 0.635 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.617 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0203 (Junge-Pankow, Mackay avg)
0.0044 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.269E+004 L/kg (MCI method)
Log Koc: 4.630 (MCI method)
Koc : 5.742E+004 L/kg (Kow method)
Log Koc: 4.759 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.057E-001 L/mol-sec
Kb Half-Life at pH 8: 38.993 days
Kb Half-Life at pH 7: 1.068 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.504 (BCF = 3191 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3736 days (HL = 2.363 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.463 (BCF = 290.6)
Log BAF Arnot-Gobas method (upper trophic) = 3.003 (BAF = 1007)
log Kow used: 7.05 (estimated)
Volatilization from Water:
Henry LC: 0.00122 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.557 hours
Half-Life from Model Lake : 170.8 hours (7.117 days)
Removal In Wastewater Treatment:
Total removal: 93.88 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.01 percent
Total to Air: 0.09 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.57 15.2 1000
Water 15.5 360 1000
Soil 70.8 720 1000
Sediment 12.1 3.24e+003 0
Persistence Time: 491 hr