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: 16672-87-0
SMILES : O=P(O)(O)CCCL
CHEM : Ethephon
MOL FOR: C2 H6 CL1 O3 P1
MOL WT : 144.50
------------------------------ 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) = -0.25
Log Kow (Exper. database match) = -0.22
Exper. Ref: USDA PESTICIDE PROPERTIES DATABASE
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 306.96 (Adapted Stein & Brown method)
Melting Pt (deg C): 34.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.59E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00212 (Modified Grain method)
MP (exp database): 74 deg C
BP (exp database): 265 dec deg C
VP (exp database): 9.80E-08 mm Hg (1.31E-005 Pa) at 25 deg C
Subcooled liquid VP: 2.99E-007 mm Hg (25 deg C, exp database VP )
: 3.99E-005 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.235e+005
log Kow used: -0.22 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
Exper. Ref: SHIU,WY ET AL. (1990)
Water Sol (Exper. database match) = 1e+006 mg/L (23 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.70E-012 atm-m3/mole (5.77E-007 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.448E-011 atm-m3/mole (2.480E-006 Pa-m3/mole)
VP: 1.59E-005 mm Hg (source: MPBPVP)
WS: 1.24E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.22 (exp database)
Log Kaw used: -9.633 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.413
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5674
Biowin2 (Non-Linear Model) : 0.2899
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7067 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5387 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3822
Biowin6 (MITI Non-Linear Model): 0.1937
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8734
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): 3.99E-005 Pa (2.99E-007 mm Hg)
Log Koa (Koawin est ): 9.413
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0753
Octanol/air (Koa) model: 0.000635
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.731
Mackay model : 0.858
Octanol/air (Koa) model: 0.0484
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 1.0528 E-12 cm3/molecule-sec
Half-Life = 10.160 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.794 (Junge-Pankow, Mackay avg)
0.0484 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.028 L/kg (MCI method)
Log Koc: 0.701 (MCI method)
Koc : 8.068 L/kg (Kow method)
Log Koc: 0.907 (Kow method)
Experimental Log Koc: 0 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5661 days (HL = 0.02716 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.033 (BCF = 0.9265)
Log BAF Arnot-Gobas method (upper trophic) = -0.033 (BAF = 0.9265)
log Kow used: -0.22 (expkow database)
Volatilization from Water:
Henry LC: 5.7E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.235E+008 hours (5.145E+006 days)
Half-Life from Model Lake : 1.347E+009 hours (5.612E+007 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.58e-005 244 1000
Water 39.6 900 1000
Soil 60.3 1.8e+003 1000
Sediment 0.0853 8.1e+003 0
Persistence Time: 1.07e+003 hr