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: 126-73-8
SMILES : O=P(OCCCC)(OCCCC)OCCCC
CHEM : Phosphoric acid tributyl ester
MOL FOR: C12 H27 O4 P1
MOL WT : 266.32
------------------------------ 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) = 3.82
Log Kow (Exper. database match) = 4.00
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 327.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 64.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00349 (Modified Grain method)
VP (Pa, 25 deg C) : 0.466 (Modified Grain method)
MP (exp database): -79 deg C
BP (exp database): 289 deg C
VP (exp database): 1.13E-03 mm Hg (1.51E-001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 7.355
log Kow used: 4.00 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 280 mg/L (25 deg C)
Exper. Ref: SAEGER,VW ET AL. (1979)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 101.04 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Esters (phosphate)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.19E-006 atm-m3/mole (3.23E-001 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.41E-06 atm-m3/mole (1.43E-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: 1.663E-004 atm-m3/mole (1.685E+001 Pa-m3/mole)
VP: 0.00349 mm Hg (source: MPBPVP)
WS: 7.36 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.00 (exp database)
Log Kaw used: -4.239 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.239
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2600
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.6594 (days-weeks )
Biowin4 (Primary Survey Model) : 4.7361 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5205
Biowin6 (MITI Non-Linear Model): 0.4729
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4051
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): 0.151 Pa (0.00113 mm Hg)
Log Koa (Koawin est ): 8.239
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.99E-005
Octanol/air (Koa) model: 4.26E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000719
Mackay model : 0.00159
Octanol/air (Koa) model: 0.00339
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 78.8399 E-12 cm3/molecule-sec
Half-Life = 0.136 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.628 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00115 (Junge-Pankow, Mackay avg)
0.00339 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2350 L/kg (MCI method)
Log Koc: 3.371 (MCI method)
Koc : 1742 L/kg (Kow method)
Log Koc: 3.241 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Phosphorus esters hydrolysis rates available (see Full Output)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.481 (BCF = 30.29 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5384 days (HL = 0.2895 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.843 (BCF = 69.65)
Log BAF Arnot-Gobas method (upper trophic) = 1.843 (BAF = 69.65)
log Kow used: 4.00 (expkow database)
Volatilization from Water:
Henry LC: 1.41E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 679.3 hours (28.3 days)
Half-Life from Model Lake : 7547 hours (314.5 days)
Removal In Wastewater Treatment:
Total removal: 30.11 percent
Total biodegradation: 0.32 percent
Total sludge adsorption: 29.73 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.525 3.26 1000
Water 27.1 208 1000
Soil 71 416 1000
Sediment 1.35 1.87e+003 0
Persistence Time: 283 hr