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 Number: 15593-88-1
SMILES : C1(C)=CCC(C(C)=COC(=O)C)CC1
CHEM :
MOL FOR: C12 H18 O2
MOL WT : 194.28
------------------------------ EPI SUMMARY (v4.11) --------------------------
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 v1.68 estimate) = 4.29
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 256.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0188 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.51 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 10.16
log Kow used: 4.29 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 147.96 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.17E-003 atm-m3/mole (7.27E+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: 4.730E-004 atm-m3/mole (4.793E+001 Pa-m3/mole)
VP: 0.0188 mm Hg (source: MPBPVP)
WS: 10.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.29 (KowWin est)
Log Kaw used: -0.533 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.823
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8292
Biowin2 (Non-Linear Model) : 0.9870
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9101 (weeks )
Biowin4 (Primary Survey Model) : 3.7964 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5631
Biowin6 (MITI Non-Linear Model): 0.5147
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3016
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): 2.49 Pa (0.0187 mm Hg)
Log Koa (Koawin est ): 4.823
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.2E-006
Octanol/air (Koa) model: 1.63E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.35E-005
Mackay model : 9.62E-005
Octanol/air (Koa) model: 1.31E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 180.7599 E-12 cm3/molecule-sec
Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.710 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 50.393749 E-17 cm3/molecule-sec
Half-Life = 0.023 Days (at 7E11 mol/cm3)
Half-Life = 32.747 Min
Fraction sorbed to airborne particulates (phi):
6.99E-005 (Junge-Pankow, Mackay avg)
1.31E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 548.7 L/kg (MCI method)
Log Koc: 2.739 (MCI method)
Koc : 1708 L/kg (Kow method)
Log Koc: 3.232 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.346E-001 L/mol-sec
Kb Half-Life at pH 8: 59.577 days
Kb Half-Life at pH 7: 1.631 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.497 (BCF = 314.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2431 days (HL = 0.5714 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.335 (BCF = 216.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.335 (BAF = 216.5)
log Kow used: 4.29 (estimated)
Volatilization from Water:
Henry LC: 0.00717 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.536 hours
Half-Life from Model Lake : 133.6 hours (5.568 days)
Removal In Wastewater Treatment:
Total removal: 81.26 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 32.28 percent
Total to Air: 48.78 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.237 0.394 1000
Water 36.8 360 1000
Soil 62.2 720 1000
Sediment 0.781 3.24e+003 0
Persistence Time: 170 hr