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CAS Number: 78-99-9
SMILES : CCC(CL)CL
CHEM : 1,1-Dichloropropane
MOL FOR: C3 H6 CL2
MOL WT : 112.99
------------------------------ 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) = 2.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 87.94 (Adapted Stein & Brown method)
Melting Pt (deg C): -83.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 62.1 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.28E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): < 25 deg C
BP (exp database): 88.1 deg C
VP (exp database): 5.08E+01 mm Hg (6.77E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1275
log Kow used: 2.25 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 2700 mg/L (20 deg C)
Exper. Ref: GUNTHER,FA (1968)
Water Sol (Exper. database match) = 2700 mg/L (20 deg C)
Exper. Ref: GUNTHER,FA (1968)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2193 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.61E-002 atm-m3/mole (1.63E+003 Pa-m3/mole)
Group Method: 6.74E-003 atm-m3/mole (6.83E+002 Pa-m3/mole)
Exper Database: 3.76E-03 atm-m3/mole (3.81E+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: 7.241E-003 atm-m3/mole (7.337E+002 Pa-m3/mole)
VP: 62.1 mm Hg (source: MPBPVP)
WS: 1.28E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.25 (KowWin est)
Log Kaw used: -0.813 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.063
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4710
Biowin2 (Non-Linear Model) : 0.0910
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6031 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4835 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3773
Biowin6 (MITI Non-Linear Model): 0.1591
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5873
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): 6.77E+003 Pa (50.8 mm Hg)
Log Koa (Koawin est ): 3.063
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.43E-010
Octanol/air (Koa) model: 2.84E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.6E-008
Mackay model : 3.54E-008
Octanol/air (Koa) model: 2.27E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.8481 E-12 cm3/molecule-sec
Half-Life = 12.612 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.57E-008 (Junge-Pankow, Mackay avg)
2.27E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 60.7 L/kg (MCI method)
Log Koc: 1.783 (MCI method)
Koc : 89.61 L/kg (Kow method)
Log Koc: 1.952 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.442E-011 L/mol-sec
Kb Half-Life at pH 8: 8.993E+008 years
Kb Half-Life at pH 7: 8.993E+009 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.151 (BCF = 14.16 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3359 days (HL = 0.4614 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.240 (BCF = 17.39)
Log BAF Arnot-Gobas method (upper trophic) = 1.240 (BAF = 17.39)
log Kow used: 2.25 (estimated)
Volatilization from Water:
Henry LC: 0.00376 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.25 hours
Half-Life from Model Lake : 102.8 hours (4.282 days)
Removal In Wastewater Treatment:
Total removal: 60.44 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.39 percent
Total to Air: 59.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 36.3 303 1000
Water 44 900 1000
Soil 19.5 1.8e+003 1000
Sediment 0.211 8.1e+003 0
Persistence Time: 188 hr