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: 5697-02-9
SMILES : Cc1c(c2ccccc2cc1)OC(=O)C
CHEM : (2-methylnaphthalen-1-yl) acetate
MOL FOR: C13 H12 O2
MOL WT : 200.24
------------------------------ 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) = 3.31
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 315.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000248 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0331 (Modified Grain method)
Subcooled liquid VP: 0.000833 mm Hg (25 deg C, Mod-Grain method)
: 0.111 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 64.63
log Kow used: 3.31 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 20.369 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.98E-006 atm-m3/mole (7.08E-001 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: 1.011E-006 atm-m3/mole (1.024E-001 Pa-m3/mole)
VP: 0.000248 mm Hg (source: MPBPVP)
WS: 64.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.31 (KowWin est)
Log Kaw used: -3.545 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.855
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8811
Biowin2 (Non-Linear Model) : 0.9920
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8220 (weeks )
Biowin4 (Primary Survey Model) : 3.7193 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5513
Biowin6 (MITI Non-Linear Model): 0.5594
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0160
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): 0.111 Pa (0.000833 mm Hg)
Log Koa (Koawin est ): 6.855
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.7E-005
Octanol/air (Koa) model: 1.76E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000975
Mackay model : 0.00216
Octanol/air (Koa) model: 0.000141
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 33.8095 E-12 cm3/molecule-sec
Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.796 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00157 (Junge-Pankow, Mackay avg)
0.000141 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1113 L/kg (MCI method)
Log Koc: 3.047 (MCI method)
Koc : 490.2 L/kg (Kow method)
Log Koc: 2.690 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.306E+000 L/mol-sec
Kb Half-Life at pH 8: 6.143 days
Kb Half-Life at pH 7: 61.430 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.853 (BCF = 71.28 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5823 days (HL = 0.2617 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.861 (BCF = 72.6)
Log BAF Arnot-Gobas method (upper trophic) = 1.861 (BAF = 72.6)
log Kow used: 3.31 (estimated)
Volatilization from Water:
Henry LC: 6.98E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 120.1 hours (5.006 days)
Half-Life from Model Lake : 1429 hours (59.55 days)
Removal In Wastewater Treatment:
Total removal: 9.72 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 9.21 percent
Total to Air: 0.36 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.722 7.59 1000
Water 24.3 360 1000
Soil 74 720 1000
Sediment 0.943 3.24e+003 0
Persistence Time: 464 hr