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: 034451-19-9
SMILES : OC(C)C(=O)OCCCC
CHEM :
MOL FOR: C7 H14 O3
MOL WT : 146.19
------------------------------ 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) = 0.80
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 207.17 (Adapted Stein & Brown method)
Melting Pt (deg C): -4.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.17 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 22.7 (Mean VP of Antoine & Grain methods)
MP (exp database): -28 deg C
BP (exp database): 186 deg C
VP (exp database): 4.00E-01 mm Hg (5.33E+001 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.298e+004
log Kow used: 0.80 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 4e+004 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 64416 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.49E-005 atm-m3/mole (8.61E+000 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.92E-06 atm-m3/mole (1.95E-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: 6.172E-007 atm-m3/mole (6.254E-002 Pa-m3/mole)
VP: 0.17 mm Hg (source: MPBPVP)
WS: 5.3E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.80 (KowWin est)
Log Kaw used: -4.105 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.905
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1193
Biowin2 (Non-Linear Model) : 0.9997
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4746 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2643 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8805
Biowin6 (MITI Non-Linear Model): 0.9518
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5759
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): 53.3 Pa (0.4 mm Hg)
Log Koa (Koawin est ): 4.905
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.62E-008
Octanol/air (Koa) model: 1.97E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.03E-006
Mackay model : 4.5E-006
Octanol/air (Koa) model: 1.58E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 6.9794 E-12 cm3/molecule-sec
Half-Life = 1.532 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 18.390 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.27E-006 (Junge-Pankow, Mackay avg)
1.58E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 7.773 L/kg (Kow method)
Log Koc: 0.891 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.482E-001 L/mol-sec
Kb Half-Life at pH 8: 8.460 days
Kb Half-Life at pH 7: 84.602 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.0827 days (HL = 0.008265 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.022 (BCF = 1.053)
Log BAF Arnot-Gobas method (upper trophic) = 0.022 (BAF = 1.053)
log Kow used: 0.80 (estimated)
Volatilization from Water:
Henry LC: 1.92E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 369.9 hours (15.41 days)
Half-Life from Model Lake : 4137 hours (172.4 days)
Removal In Wastewater Treatment:
Total removal: 1.98 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 percent
Total to Air: 0.11 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.36 36.8 1000
Water 36.2 208 1000
Soil 59.4 416 1000
Sediment 0.0761 1.87e+003 0
Persistence Time: 262 hr