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: 5343-92-0
SMILES : OC(CCC)CO
CHEM : pentane-1,2-diol
MOL FOR: C5 H12 O2
MOL WT : 104.15
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 0.20
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 197.05 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.51 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00535 (Modified Grain method)
VP (Pa, 25 deg C) : 0.714 (Modified Grain method)
MP (exp database): 104 deg C
BP (exp database): 206 deg C
VP (exp database): 1.44E-01 mm Hg (1.92E+001 Pa) at 47 deg C
Subcooled liquid VP: 0.0317 mm Hg (25 deg C, Mod-Grain method)
: 4.22 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.664e+004
log Kow used: 0.20 (estimated)
no-melting pt equation used
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
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.06E-007 atm-m3/mole (3.10E-002 Pa-m3/mole)
Group Method: 2.62E-010 atm-m3/mole (2.66E-005 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: 9.566E-009 atm-m3/mole (9.693E-004 Pa-m3/mole)
VP: 0.00535 mm Hg (source: MPBPVP)
WS: 7.66E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.20 (KowWin est)
Log Kaw used: -4.903 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.103
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0154
Biowin2 (Non-Linear Model) : 0.9774
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2890 (days-weeks )
Biowin4 (Primary Survey Model) : 3.9564 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8226
Biowin6 (MITI Non-Linear Model): 0.9391
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9342
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): 4.23 Pa (0.0317 mm Hg)
Log Koa (Koawin est ): 5.103
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.1E-007
Octanol/air (Koa) model: 3.11E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.56E-005
Mackay model : 5.68E-005
Octanol/air (Koa) model: 2.49E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.3026 E-12 cm3/molecule-sec
Half-Life = 0.618 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.418 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.12E-005 (Junge-Pankow, Mackay avg)
2.49E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1 L/kg (MCI method)
Log Koc: 0.000 (MCI method)
Koc : 1.632 L/kg (Kow method)
Log Koc: 0.213 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7393 days (HL = 0.01823 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.016 (BCF = 0.9639)
Log BAF Arnot-Gobas method (upper trophic) = -0.016 (BAF = 0.9639)
log Kow used: 0.20 (estimated)
Volatilization from Water:
Henry LC: 3.06E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1954 hours (81.4 days)
Half-Life from Model Lake : 2.14E+004 hours (891.6 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.1 14.8 1000
Water 40.8 208 1000
Soil 57 416 1000
Sediment 0.0722 1.87e+003 0
Persistence Time: 256 hr