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CAS Number: 431-89-0
SMILES : C(F)(F)(F)C(F)C(F)(F)F
CHEM : HFC-227ea (heptafluoropropane)
MOL FOR: C3 H1 F7
MOL WT : 170.03
------------------------------ 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) = 2.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -62.66 (Adapted Stein & Brown method)
Melting Pt (deg C): -152.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.08E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.1E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -127.1 deg C
BP (exp database): -17.3 deg C
VP (exp database): 3.41E+03 mm Hg (4.55E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 79.5
log Kow used: 2.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 55.201 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.60E+001 atm-m3/mole (1.62E+006 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: 2.139E+000 atm-m3/mole (2.167E+005 Pa-m3/mole)
VP: 3.08E+003 mm Hg (source: MPBPVP)
WS: 79.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.51 (KowWin est)
Log Kaw used: 2.816 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): -0.306
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.3742
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7975 (months )
Biowin4 (Primary Survey Model) : 3.0536 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2773
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6702
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): 4.55E+005 Pa (3.41E+003 mm Hg)
Log Koa (Koawin est ): -0.306
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.6E-012
Octanol/air (Koa) model: 1.21E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.38E-010
Mackay model : 5.28E-010
Octanol/air (Koa) model: 9.71E-012
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0009 E-12 cm3/molecule-sec
Half-Life = 11635.220 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.83E-010 (Junge-Pankow, Mackay avg)
9.71E-012 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 583 L/kg (MCI method)
Log Koc: 2.766 (MCI method)
Koc : 150.7 L/kg (Kow method)
Log Koc: 2.178 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.328E-004 L/mol-sec
Kb Half-Life at pH 8: 26.372 years
Kb Half-Life at pH 7: 263.720 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.325 (BCF = 21.15 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1629 days (HL = 1.455 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.523 (BCF = 33.36)
Log BAF Arnot-Gobas method (upper trophic) = 1.523 (BAF = 33.36)
log Kow used: 2.51 (estimated)
Volatilization from Water:
Henry LC: 16 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.331 hours
Half-Life from Model Lake : 123.9 hours (5.161 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.98 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 1.00 percent
Total to Air: 98.96 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 50 1.58e+005 1000
Water 47.8 1.44e+003 1000
Soil 0.426 2.88e+003 1000
Sediment 1.73 1.3e+004 0
Persistence Time: 175 hr