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 Number: 542-75-6
SMILES : C(=CCL)CCL
CHEM : 1-Propene, 1,3-dichloro-
MOL FOR: C3 H4 CL2
MOL WT : 110.97
------------------------------ 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) = 2.29
Log Kow (Exper. database match) = 2.04
Exper. Ref: TOMLIN,C (1997);isomer avg
Log Kow (Exper. database match) = 2.06
Exper. Ref: TOMLIN,C (1997)
Log Kow (Exper. database match) = 2.03
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 107.80 (Adapted Stein & Brown method)
Melting Pt (deg C): -72.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 22.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.97E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -50 deg C
BP (exp database): 112 deg C
VP (exp database): 3.40E+01 mm Hg (4.53E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1994
log Kow used: 2.03 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2800 mg/L (20 deg C)
Exper. Ref: DILLING,WL (1977)
Water Sol (Exper. database match) = 2180 mg/L (20 deg C)
Exper. Ref: TOMLIN,C (1997)
Water Sol (Exper. database match) = 2800 mg/L (25 deg C)
Exper. Ref: VERSCHUEREN,K (2001)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1426.6 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Halides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.45E-002 atm-m3/mole (2.48E+003 Pa-m3/mole)
Group Method: 3.22E-003 atm-m3/mole (3.27E+002 Pa-m3/mole)
Exper Database: 3.55E-03 atm-m3/mole (3.60E+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: 1.633E-003 atm-m3/mole (1.655E+002 Pa-m3/mole)
VP: 22.3 mm Hg (source: MPBPVP)
WS: 1.99E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.03 (exp database)
Log Kaw used: -0.838 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.868
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4719
Biowin2 (Non-Linear Model) : 0.0934
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6076 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4864 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4460
Biowin6 (MITI Non-Linear Model): 0.1870
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6857
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): 4.53E+003 Pa (34 mm Hg)
Log Koa (Koawin est ): 2.868
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.62E-010
Octanol/air (Koa) model: 1.81E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.39E-008
Mackay model : 5.29E-008
Octanol/air (Koa) model: 1.45E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.3564 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 10.5693 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.143 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.012 Days (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.011261 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 0.022523 E-17 cm3/molecule-sec [Trans-]
Half-Life = 101.765 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 50.882 Days (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
3.84E-008 (Junge-Pankow, Mackay avg)
1.45E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 72.17 L/kg (MCI method)
Log Koc: 1.858 (MCI method)
Koc : 57.73 L/kg (Kow method)
Log Koc: 1.761 (Kow method)
Experimental Log Koc: 1.82 (database)
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 = 1.006 (BCF = 10.15 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2543 days (HL = 0.5568 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.056 (BCF = 11.38)
Log BAF Arnot-Gobas method (upper trophic) = 1.056 (BAF = 11.38)
log Kow used: 2.03 (expkow database)
Volatilization from Water:
Henry LC: 0.00355 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.249 hours
Half-Life from Model Lake : 102 hours (4.248 days)
Removal In Wastewater Treatment:
Total removal: 59.06 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.20 percent
Total to Air: 57.80 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 11.7 17.6 1000
Water 57.3 900 1000
Soil 30.7 1.8e+003 1000
Sediment 0.307 8.1e+003 0
Persistence Time: 144 hr