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CAS Number: 4536-30-5
SMILES : O(CCCCCCCCCCCC)CCO
CHEM : Ethanol, 2-(dodecyloxy)-
MOL FOR: C14 H30 O2
MOL WT : 230.39
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 4.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 318.21 (Adapted Stein & Brown method)
Melting Pt (deg C): 64.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.77E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00236 (Modified Grain method)
Subcooled liquid VP: 4.17E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00556 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 14.19
log Kow used: 4.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15.311 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.45E-007 atm-m3/mole (9.57E-002 Pa-m3/mole)
Group Method: 3.30E-007 atm-m3/mole (3.34E-002 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: 3.781E-007 atm-m3/mole (3.831E-002 Pa-m3/mole)
VP: 1.77E-005 mm Hg (source: MPBPVP)
WS: 14.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.50 (KowWin est)
Log Kaw used: -4.413 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.913
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5577
Biowin2 (Non-Linear Model) : 0.3250
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1397 (weeks )
Biowin4 (Primary Survey Model) : 3.9041 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8321
Biowin6 (MITI Non-Linear Model): 0.9148
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6522
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): 0.00556 Pa (4.17E-005 mm Hg)
Log Koa (Koawin est ): 8.913
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00054
Octanol/air (Koa) model: 0.000201
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0191
Mackay model : 0.0414
Octanol/air (Koa) model: 0.0158
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.8178 E-12 cm3/molecule-sec
Half-Life = 0.307 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.686 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0302 (Junge-Pankow, Mackay avg)
0.0158 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 343.5 L/kg (MCI method)
Log Koc: 2.536 (MCI method)
Koc : 816.9 L/kg (Kow method)
Log Koc: 2.912 (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 v3.01):
Log BCF from regression-based method = 1.259 (BCF = 18.15 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2374 days (HL = 0.5789 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.358 (BCF = 227.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.358 (BAF = 227.9)
log Kow used: 4.50 (estimated)
Volatilization from Water:
Henry LC: 3.3E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2695 hours (112.3 days)
Half-Life from Model Lake : 2.952E+004 hours (1230 days)
Removal In Wastewater Treatment:
Total removal: 56.03 percent
Total biodegradation: 0.52 percent
Total sludge adsorption: 55.50 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.619 7.37 1000
Water 24.7 360 1000
Soil 74.3 720 1000
Sediment 0.357 3.24e+003 0
Persistence Time: 480 hr