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: 010482-79-8
SMILES : O=C(OCCC(CCC=C(C)C)C)C=Cc(cccc1)c1
CHEM : 2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester
MOL FOR: C19 H26 O2
MOL WT : 286.42
------------------------------ 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) = 6.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 360.50 (Adapted Stein & Brown method)
Melting Pt (deg C): 69.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.83E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00378 (Modified Grain method)
Subcooled liquid VP: 7.43E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0099 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.03791
log Kow used: 6.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.092018 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.51E-005 atm-m3/mole (5.58E+000 Pa-m3/mole)
Group Method: 4.77E-006 atm-m3/mole (4.83E-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: 2.813E-004 atm-m3/mole (2.851E+001 Pa-m3/mole)
VP: 2.83E-005 mm Hg (source: MPBPVP)
WS: 0.0379 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.54 (KowWin est)
Log Kaw used: -2.647 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.187
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9135
Biowin2 (Non-Linear Model) : 0.9920
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7284 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6684 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4117
Biowin6 (MITI Non-Linear Model): 0.2821
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2278
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): 0.00991 Pa (7.43E-005 mm Hg)
Log Koa (Koawin est ): 9.187
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000303
Octanol/air (Koa) model: 0.000378
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0108
Mackay model : 0.0237
Octanol/air (Koa) model: 0.0293
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 117.6605 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 120.3205 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.091 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.067 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.049999 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 45.099998 E-17 cm3/molecule-sec [Trans-]
Half-Life = 0.624 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.610 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.0172 (Junge-Pankow, Mackay avg)
0.0293 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.59E+004 L/kg (MCI method)
Log Koc: 4.555 (MCI method)
Koc : 2.999E+004 L/kg (Kow method)
Log Koc: 4.477 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.614E-003 L/mol-sec
Kb Half-Life at pH 8: 2.285 years
Kb Half-Life at pH 7: 22.845 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.985 (BCF = 9663 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2177 days (HL = 1.651 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.597 (BCF = 395.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.760 (BAF = 575.8)
log Kow used: 6.54 (estimated)
Volatilization from Water:
Henry LC: 4.77E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 209.5 hours (8.727 days)
Half-Life from Model Lake : 2427 hours (101.1 days)
Removal In Wastewater Treatment:
Total removal: 93.49 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.71 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 0.0178 0.486 1000
Water 12.6 900 1000
Soil 65.3 1.8e+003 1000
Sediment 22 8.1e+003 0
Persistence Time: 1.32e+003 hr