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CAS Number: 96-18-4
SMILES : CLCC(CL)CCL
CHEM : Propane, 1,2,3-trichloro-
MOL FOR: C3 H5 CL3
MOL WT : 147.43
------------------------------ 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) = 2.50
Log Kow (Exper. database match) = 2.27
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 162.16 (Adapted Stein & Brown method)
Melting Pt (deg C): -46.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.89 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 386 (Mean VP of Antoine & Grain methods)
MP (exp database): -14.7 deg C
BP (exp database): 157 deg C
VP (exp database): 3.69E+00 mm Hg (4.92E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 896.8
log Kow used: 2.27 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1750 mg/L (25 deg C)
Exper. Ref: ALBANESE,V ET AL. (1987)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 898.77 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.67E-003 atm-m3/mole (5.75E+002 Pa-m3/mole)
Group Method: 6.74E-006 atm-m3/mole (6.83E-001 Pa-m3/mole)
Exper Database: 3.43E-04 atm-m3/mole (3.48E+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: 6.251E-004 atm-m3/mole (6.334E+001 Pa-m3/mole)
VP: 2.89 mm Hg (source: MPBPVP)
WS: 897 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.27 (exp database)
Log Kaw used: -1.853 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.123
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3432
Biowin2 (Non-Linear Model) : 0.0095
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3538 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3332 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3250
Biowin6 (MITI Non-Linear Model): 0.0527
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6782
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): 492 Pa (3.69 mm Hg)
Log Koa (Koawin est ): 4.123
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.1E-009
Octanol/air (Koa) model: 3.26E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.2E-007
Mackay model : 4.88E-007
Octanol/air (Koa) model: 2.61E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.3511 E-12 cm3/molecule-sec
Half-Life = 30.466 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.54E-007 (Junge-Pankow, Mackay avg)
2.61E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 115.8 L/kg (MCI method)
Log Koc: 2.064 (MCI method)
Koc : 93.27 L/kg (Kow method)
Log Koc: 1.970 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.396E-007 L/mol-sec
Kb Half-Life at pH 8: 2.337E+004 years
Kb Half-Life at pH 7: 2.337E+005 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.165 (BCF = 14.61 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2780 days (HL = 0.5272 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.229 (BCF = 16.92)
Log BAF Arnot-Gobas method (upper trophic) = 1.229 (BAF = 16.92)
log Kow used: 2.27 (expkow database)
Volatilization from Water:
Henry LC: 0.000343 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.312 hours
Half-Life from Model Lake : 137.9 hours (5.747 days)
Removal In Wastewater Treatment:
Total removal: 15.79 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.24 percent
Total to Air: 13.47 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 11.2 731 1000
Water 21.7 900 1000
Soil 66.9 1.8e+003 1000
Sediment 0.163 8.1e+003 0
Persistence Time: 535 hr