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: 134782-31-3
SMILES : O=C(C)C(C)OC(=O)CCCCC
CHEM :
MOL FOR: C10 H18 O3
MOL WT : 186.25
------------------------------ 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) = 2.19
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 236.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 15.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0568 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 7.58 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 695
log Kow used: 2.19 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3245.8 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.44E-006 atm-m3/mole (3.49E-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: 2.003E-005 atm-m3/mole (2.029E+000 Pa-m3/mole)
VP: 0.0568 mm Hg (source: MPBPVP)
WS: 695 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.19 (KowWin est)
Log Kaw used: -3.852 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.042
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9483
Biowin2 (Non-Linear Model) : 0.9971
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2036 (weeks )
Biowin4 (Primary Survey Model) : 4.0548 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7677
Biowin6 (MITI Non-Linear Model): 0.8914
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0023
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): 7.21 Pa (0.0541 mm Hg)
Log Koa (Koawin est ): 6.042
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.16E-007
Octanol/air (Koa) model: 2.7E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.5E-005
Mackay model : 3.33E-005
Octanol/air (Koa) model: 2.16E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 7.4587 E-12 cm3/molecule-sec
Half-Life = 1.434 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.208 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.41E-005 (Junge-Pankow, Mackay avg)
2.16E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 21.9 L/kg (MCI method)
Log Koc: 1.340 (MCI method)
Koc : 184.7 L/kg (Kow method)
Log Koc: 2.266 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.710E-002 L/mol-sec
Kb Half-Life at pH 8: 170.326 days
Kb Half-Life at pH 7: 4.663 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.110 (BCF = 12.89 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6080 days (HL = 0.02466 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.741 (BCF = 5.502)
Log BAF Arnot-Gobas method (upper trophic) = 0.741 (BAF = 5.502)
log Kow used: 2.19 (estimated)
Volatilization from Water:
Henry LC: 3.44E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 233.7 hours (9.736 days)
Half-Life from Model Lake : 2664 hours (111 days)
Removal In Wastewater Treatment:
Total removal: 2.65 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.36 percent
Total to Air: 0.19 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.8 34.4 1000
Water 34.6 360 1000
Soil 62.5 720 1000
Sediment 0.095 3.24e+003 0
Persistence Time: 407 hr