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: 029911-27-1
SMILES : O(CC(OCC(O)C)C)CCC
CHEM : 2-Propanol, 1-(1-methyl-2-propoxyethoxy)-
MOL FOR: C9 H20 O3
MOL WT : 176.26
------------------------------ 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) = 0.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 230.37 (Adapted Stein & Brown method)
Melting Pt (deg C): 7.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0356 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.74 (Mean VP of Antoine & Grain methods)
MP (exp database): 7.08 deg C
BP (exp database): 212 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.316e+004
log Kow used: 0.64 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1.5e+005 mg/L ( deg C)
Exper. Ref: STAPLES,CA & DAVIS,JW (2002)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.9982e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.02E-009 atm-m3/mole (2.05E-004 Pa-m3/mole)
Group Method: 1.73E-010 atm-m3/mole (1.75E-005 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: 1.553E-007 atm-m3/mole (1.574E-002 Pa-m3/mole)
VP: 0.0356 mm Hg (source: MPBPVP)
WS: 5.32E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.64 (KowWin est)
Log Kaw used: -7.083 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.723
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1276
Biowin2 (Non-Linear Model) : 0.0053
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9523 (weeks )
Biowin4 (Primary Survey Model) : 3.7034 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4494
Biowin6 (MITI Non-Linear Model): 0.4511
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0121
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): 4.31 Pa (0.0323 mm Hg)
Log Koa (Koawin est ): 7.723
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.97E-007
Octanol/air (Koa) model: 1.3E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.52E-005
Mackay model : 5.57E-005
Octanol/air (Koa) model: 0.00104
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.8418 E-12 cm3/molecule-sec
Half-Life = 0.224 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.683 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.04E-005 (Junge-Pankow, Mackay avg)
0.00104 (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 : 4.858 L/kg (Kow method)
Log Koc: 0.686 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
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) = -1.4519 days (HL = 0.03532 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.064 (BCF = 1.159)
Log BAF Arnot-Gobas method (upper trophic) = 0.064 (BAF = 1.159)
log Kow used: 0.64 (estimated)
Volatilization from Water:
Henry LC: 1.73E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.493E+006 hours (1.872E+005 days)
Half-Life from Model Lake : 4.902E+007 hours (2.042E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 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 0.00366 5.37 1000
Water 30.6 360 1000
Soil 69.3 720 1000
Sediment 0.0689 3.24e+003 0
Persistence Time: 638 hr