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CAS Num: 000101-48-4
SMILES : O(C(OC)Cc(cccc1)c1)C
CHEM : Benzene, (2,2-dimethoxyethyl)-
MOL FOR: C10 H14 O2
MOL WT : 166.22
------------------------------ 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) = 1.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 219.76 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.133 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 17.7 (Mean VP of Antoine & Grain methods)
BP (exp database): 220 @ 754 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1439
log Kow used: 1.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2219.1 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.42E-006 atm-m3/mole (5.49E-001 Pa-m3/mole)
Group Method: 1.14E-006 atm-m3/mole (1.16E-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: 2.021E-005 atm-m3/mole (2.048E+000 Pa-m3/mole)
VP: 0.133 mm Hg (source: MPBPVP)
WS: 1.44E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.93 (KowWin est)
Log Kaw used: -3.654 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.584
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1565
Biowin2 (Non-Linear Model) : 0.0212
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7617 (weeks )
Biowin4 (Primary Survey Model) : 3.5248 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1561
Biowin6 (MITI Non-Linear Model): 0.1118
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3842
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): 16.5 Pa (0.124 mm Hg)
Log Koa (Koawin est ): 5.584
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.81E-007
Octanol/air (Koa) model: 9.42E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.55E-006
Mackay model : 1.45E-005
Octanol/air (Koa) model: 7.54E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.3866 E-12 cm3/molecule-sec
Half-Life = 0.653 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.833 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.05E-005 (Junge-Pankow, Mackay avg)
7.54E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 81.91 L/kg (MCI method)
Log Koc: 1.913 (MCI method)
Koc : 64.78 L/kg (Kow method)
Log Koc: 1.811 (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 = 0.941 (BCF = 8.725 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9750 days (HL = 0.1059 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.859 (BCF = 7.235)
Log BAF Arnot-Gobas method (upper trophic) = 0.859 (BAF = 7.235)
log Kow used: 1.93 (estimated)
Volatilization from Water:
Henry LC: 5.42E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 140.6 hours (5.858 days)
Half-Life from Model Lake : 1642 hours (68.41 days)
Removal In Wastewater Treatment:
Total removal: 2.48 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.09 percent
Total to Air: 0.30 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.45 15.7 1000
Water 28.5 360 1000
Soil 69.9 720 1000
Sediment 0.147 3.24e+003 0
Persistence Time: 436 hr