This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 061810-55-7
SMILES : CCCCCCCCCC(=O)OCCc1ccccc1
CHEM : Decanoic acid, 2-phenylethyl ester
MOL FOR: C18 H28 O2
MOL WT : 276.42
------------------------------ 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) = 6.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 351.91 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.81E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00375 (Modified Grain method)
Subcooled liquid VP: 0.000119 mm Hg (25 deg C, Mod-Grain method)
: 0.0159 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.04716
log Kow used: 6.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.022688 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.81E-004 atm-m3/mole (1.84E+001 Pa-m3/mole)
Group Method: 5.23E-005 atm-m3/mole (5.30E+000 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: 2.167E-004 atm-m3/mole (2.196E+001 Pa-m3/mole)
VP: 2.81E-005 mm Hg (source: MPBPVP)
WS: 0.0472 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.50 (KowWin est)
Log Kaw used: -2.131 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.631
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0813
Biowin2 (Non-Linear Model) : 0.9994
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9740 (weeks )
Biowin4 (Primary Survey Model) : 3.8833 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6641
Biowin6 (MITI Non-Linear Model): 0.7946
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4638
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): 0.0159 Pa (0.000119 mm Hg)
Log Koa (Koawin est ): 8.631
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000189
Octanol/air (Koa) model: 0.000105
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00678
Mackay model : 0.0149
Octanol/air (Koa) model: 0.00833
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.9825 E-12 cm3/molecule-sec
Half-Life = 0.595 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.138 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0108 (Junge-Pankow, Mackay avg)
0.00833 (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 : 2.85E+004 L/kg (Kow method)
Log Koc: 4.455 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.512E-002 L/mol-sec
Kb Half-Life at pH 8: 228.393 days
Kb Half-Life at pH 7: 6.253 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.582 (BCF = 381.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3690 days (HL = 0.4275 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.038 (BCF = 109.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.050 (BAF = 112.3)
log Kow used: 6.50 (estimated)
Volatilization from Water:
Henry LC: 5.23E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 20.31 hours
Half-Life from Model Lake : 361 hours (15.04 days)
Removal In Wastewater Treatment:
Total removal: 93.44 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.64 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.21 14.3 1000
Water 18.9 360 1000
Soil 67.4 720 1000
Sediment 12.5 3.24e+003 0
Persistence Time: 516 hr